1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine

C8H13N7 — CID 83833760

IUPAC1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine
SMILESCC(N)CNc1ncnc2c1nnn2C
InChIInChI=1S/C8H13N7/c1-5(9)3-10-7-6-8(12-4-11-7)15(2)14-13-6/h4-5H,3,9H2,1-2H3,(H,10,11,12)
InChIKeyOOJBPVDCLILVGZ-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.48
Rot. Bonds3

About 1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine

1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine (PubChem CID 83833760) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine
PubChem CID83833760
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine
SMILESCC(N)CNc1ncnc2c1nnn2C
InChIInChI=1S/C8H13N7/c1-5(9)3-10-7-6-8(12-4-11-7)15(2)14-13-6/h4-5H,3,9H2,1-2H3,(H,10,11,12)
InChIKeyOOJBPVDCLILVGZ-UHFFFAOYSA-N
XLogP-0.48
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
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

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Related Compounds

3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 40532076
N-[(2S)-1-methoxypropan-2-yl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7688219
3-ethyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584373
N-[2-[(3-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]acetamide
CID 7584287
1-[(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol
CID 18584564
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7424134
3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584273
N-[(3-methoxyphenyl)methyl]-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7424163
N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7688242
N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7659050
3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine
CID 7688194
1-[(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)amino]propan-2-ol
CID 3230765

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine (CID 83833760) is 1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine is CC(N)CNc1ncnc2c1nnn2C.
What is the InChIKey of 1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine?
The InChIKey is OOJBPVDCLILVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c1-5(9)3-10-7-6-8(12-4-11-7)15(2)14-13-6/h4-5H,3,9H2,1-2H3,(H,10,11,12).
What are the key properties of 1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine?
1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine has a molecular weight of 207.24 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine is sourced from PubChem (CID 83833760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).