2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine

C9H13N5 — CID 79818137

IUPAC2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
SMILESCC(C)(N)Cc1nnc2ccncn12
InChIInChI=1S/C9H13N5/c1-9(2,10)5-8-13-12-7-3-4-11-6-14(7)8/h3-4,6H,5,10H2,1-2H3
InChIKeyDMNZRDMWEDNSBK-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.40
Rot. Bonds2

About 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine

2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine (PubChem CID 79818137) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
PubChem CID79818137
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
SMILESCC(C)(N)Cc1nnc2ccncn12
InChIInChI=1S/C9H13N5/c1-9(2,10)5-8-13-12-7-3-4-11-6-14(7)8/h3-4,6H,5,10H2,1-2H3
InChIKeyDMNZRDMWEDNSBK-UHFFFAOYSA-N
XLogP0.40
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine (CID 79818137) is 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine is CC(C)(N)Cc1nnc2ccncn12.
What is the InChIKey of 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine?
The InChIKey is DMNZRDMWEDNSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-9(2,10)5-8-13-12-7-3-4-11-6-14(7)8/h3-4,6H,5,10H2,1-2H3.
What are the key properties of 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine?
2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine has a molecular weight of 191.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine is sourced from PubChem (CID 79818137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).