7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene

C19H20Cl2N4 — CID 10270806

IUPAC7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
SMILESCc1nc2c3c(n1)N(c1ccc(Cl)cc1Cl)CC3CCN2CC1CC1
InChIInChI=1S/C19H20Cl2N4/c1-11-22-18-17-13(6-7-24(18)9-12-2-3-12)10-25(19(17)23-11)16-5-4-14(20)8-15(16)21/h4-5,8,12-13H,2-3,6-7,9-10H2,1H3
InChIKeyYALBAQFFCQQJKN-UHFFFAOYSA-N
MW375.30 g/mol
LogP4.95
Rot. Bonds3

About 7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene

7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene (PubChem CID 10270806) has the molecular formula C19H20Cl2N4 and a molecular weight of 375.30 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
PubChem CID10270806
Molecular FormulaC19H20Cl2N4
Molecular Weight375.30 g/mol
Exact Mass374.11
IUPAC Name7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
SMILESCc1nc2c3c(n1)N(c1ccc(Cl)cc1Cl)CC3CCN2CC1CC1
InChIInChI=1S/C19H20Cl2N4/c1-11-22-18-17-13(6-7-24(18)9-12-2-3-12)10-25(19(17)23-11)16-5-4-14(20)8-15(16)21/h4-5,8,12-13H,2-3,6-7,9-10H2,1H3
InChIKeyYALBAQFFCQQJKN-UHFFFAOYSA-N
XLogP4.95
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene with MolForge

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Related Compounds

7-(2,4-Dichlorophenyl)-10-methyl-2-pentan-3-yl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 9800613
N-Cyclopropylmethyl-2,5-dimethyl-N-propyl-N''-(2,4,6-trichloro-phenyl)-pyrimidine-4,6-diamine
CID 9801874
2-(2,4-Dichloro-phenyl)-4-methyl-6-(1-propyl-butyl)-2,6,7,8-tetrahydro-1,2,3,6-tetraaza-acenaphthylene
CID 9802053
7-(2,4-Dichlorophenyl)-2-heptan-4-yl-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10159031
2-(2,4-Dichlorophenyl)-10-methyl-7-pentan-3-yl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10178517
2-(2,4-Dichlorophenyl)-7-heptan-4-yl-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 10180350
4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
CID 10502620
4-N-(cyclopropylmethyl)-5-ethyl-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
CID 10550438
4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
CID 10573027
1-(2,4-Dichloro-phenyl)-7-methyl-5-(1-propyl-butyl)-1,3,4,5-tetrahydro-1,5,8-triaza-acenaphthylene
CID 11224781
4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
CID 44266581
7-(2,4-Dichlorophenyl)-2-(1,3-dimethoxypropan-2-yl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
CID 44388471

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene?
The IUPAC name of 7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene (CID 10270806) is 7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene is Cc1nc2c3c(n1)N(c1ccc(Cl)cc1Cl)CC3CCN2CC1CC1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene?
The InChIKey is YALBAQFFCQQJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4/c1-11-22-18-17-13(6-7-24(18)9-12-2-3-12)10-25(19(17)23-11)16-5-4-14(20)8-15(16)21/h4-5,8,12-13H,2-3,6-7,9-10H2,1H3.
What are the key properties of 7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene?
7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene has a molecular weight of 375.30 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene is sourced from PubChem (CID 10270806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).