N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine

C8H13N7 — CID 83833748

IUPACN'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine
SMILESCn1nnc2ncnc(NCCCN)c21
InChIInChI=1S/C8H13N7/c1-15-6-7(10-4-2-3-9)11-5-12-8(6)13-14-15/h5H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyGYKQYRSPGYONRZ-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.48
Rot. Bonds4

About N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine

N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine (PubChem CID 83833748) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine
PubChem CID83833748
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine
SMILESCn1nnc2ncnc(NCCCN)c21
InChIInChI=1S/C8H13N7/c1-15-6-7(10-4-2-3-9)11-5-12-8(6)13-14-15/h5H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyGYKQYRSPGYONRZ-UHFFFAOYSA-N
XLogP-0.48
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(9-methylpurin-6-yl)propane-1,3-diamine
CID 83833396
N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320
N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 83838471
N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176
N'-(5-methylpyrimidin-4-yl)propane-1,3-diamine
CID 139496375
N'-(3-methylpyrazin-2-yl)propane-1,3-diamine
CID 83064699
N'-[1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]propane-1,3-diamine
CID 82191658
N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide
CID 7584287
N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
CID 63963092
N'-(1-methyltetrazol-5-yl)butane-1,4-diamine
CID 63152546
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
CID 61234752

Frequently Asked Questions

What is the IUPAC name of N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine?
The IUPAC name of N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine (CID 83833748) is N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine?
The canonical SMILES for N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine is Cn1nnc2ncnc(NCCCN)c21.
What is the InChIKey of N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine?
The InChIKey is GYKQYRSPGYONRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c1-15-6-7(10-4-2-3-9)11-5-12-8(6)13-14-15/h5H,2-4,9H2,1H3,(H,10,11,12).
What are the key properties of N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine?
N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine has a molecular weight of 207.24 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine is sourced from PubChem (CID 83833748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).