N-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C20H23Cl2N5 — CID 10294626

IUPACN-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCN(CC1CC1)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12
InChIInChI=1S/C20H23Cl2N5/c1-4-9-26(11-14-5-6-14)20-24-13(3)23-19-18(12(2)25-27(19)20)16-8-7-15(21)10-17(16)22/h7-8,10,14H,4-6,9,11H2,1-3H3
InChIKeyMYECNMPFUKBTDY-UHFFFAOYSA-N
MW404.35 g/mol
LogP5.34
Rot. Bonds6

About N-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 10294626) has the molecular formula C20H23Cl2N5 and a molecular weight of 404.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID10294626
Molecular FormulaC20H23Cl2N5
Molecular Weight404.35 g/mol
Exact Mass403.13
IUPAC NameN-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCN(CC1CC1)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12
InChIInChI=1S/C20H23Cl2N5/c1-4-9-26(11-14-5-6-14)20-24-13(3)23-19-18(12(2)25-27(19)20)16-8-7-15(21)10-17(16)22/h7-8,10,14H,4-6,9,11H2,1-3H3
InChIKeyMYECNMPFUKBTDY-UHFFFAOYSA-N
XLogP5.34
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.35
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 10294626) is N-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCN(CC1CC1)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12.
What is the InChIKey of N-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is MYECNMPFUKBTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N5/c1-4-9-26(11-14-5-6-14)20-24-13(3)23-19-18(12(2)25-27(19)20)16-8-7-15(21)10-17(16)22/h7-8,10,14H,4-6,9,11H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 404.35 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-8-(2,4-dichlorophenyl)-2,7-dimethyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 10294626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).