10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine

C10H12N6 — CID 143757773

IUPAC10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine
SMILESCCCn1ncc2c1N=CC1N=C(N)N=C21
InChIInChI=1S/C10H12N6/c1-2-3-16-9-6(4-13-16)8-7(5-12-9)14-10(11)15-8/h4-5,7H,2-3H2,1H3,(H2,11,14)
InChIKeyLFPHEYAXZVKOBA-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.50
Rot. Bonds2

About 10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine

10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine (PubChem CID 143757773) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine.

Molecular Properties

Compound Name10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine
PubChem CID143757773
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine
SMILESCCCn1ncc2c1N=CC1N=C(N)N=C21
InChIInChI=1S/C10H12N6/c1-2-3-16-9-6(4-13-16)8-7(5-12-9)14-10(11)15-8/h4-5,7H,2-3H2,1H3,(H2,11,14)
InChIKeyLFPHEYAXZVKOBA-UHFFFAOYSA-N
XLogP0.50
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine with MolForge

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Related Compounds

4-ethyl-1-isopropyl-1H-pyrazol-5-amine
CID 126480383
4-(3-Aminopropyl)-1-methyl-1H-pyrazol-5-amine
CID 11586329
4-(3-Aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine
CID 59731826
6-(1-Methylpyrazol-4-yl)-4,5-dihydropyridazin-3-amine
CID 64690324
(1,4-Dipropylpyrazol-5-yl)hydrazine
CID 69433978
1-Methyl-4-propyl-1H-pyrazol-5-amine
CID 79404972
2,6-Dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine
CID 90364017
2,5-Dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine
CID 90364024
4-(2-Methylsulfanyl-4,5-dihydropyrimidin-6-yl)-1-propan-2-ylpyrazol-3-amine
CID 123607380
1-(Propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridine
CID 136308310
5-Ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene
CID 141026959
10-Ethenyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 143757781

Frequently Asked Questions

What is the IUPAC name of 10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine?
The IUPAC name of 10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine (CID 143757773) is 10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine.
What is the SMILES notation for 10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine?
The canonical SMILES for 10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine is CCCn1ncc2c1N=CC1N=C(N)N=C21.
What is the InChIKey of 10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine?
The InChIKey is LFPHEYAXZVKOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-2-3-16-9-6(4-13-16)8-7(5-12-9)14-10(11)15-8/h4-5,7H,2-3H2,1H3,(H2,11,14).
What are the key properties of 10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine?
10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine has a molecular weight of 216.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine is sourced from PubChem (CID 143757773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).