1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine

C9H13N5 — CID 63196488

IUPAC1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine
SMILESCc1cc(CC(C)N)n2ncnc2n1
InChIInChI=1S/C9H13N5/c1-6(10)3-8-4-7(2)13-9-11-5-12-14(8)9/h4-6H,3,10H2,1-2H3
InChIKeyXEBWIMOLIRHRBS-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.32
Rot. Bonds2

About 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine

1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine (PubChem CID 63196488) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine
PubChem CID63196488
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine
SMILESCc1cc(CC(C)N)n2ncnc2n1
InChIInChI=1S/C9H13N5/c1-6(10)3-8-4-7(2)13-9-11-5-12-14(8)9/h4-6H,3,10H2,1-2H3
InChIKeyXEBWIMOLIRHRBS-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3,3-dimethyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butan-2-amine
CID 63198104
5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79003007
N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63392205
4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine
CID 114163264
2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 115765238
N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine
CID 80505333
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine
CID 63338782
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62592638
N-but-3-en-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115692025
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 115702113

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine?
The IUPAC name of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine (CID 63196488) is 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine.
What is the SMILES notation for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine?
The canonical SMILES for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine is Cc1cc(CC(C)N)n2ncnc2n1.
What is the InChIKey of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine?
The InChIKey is XEBWIMOLIRHRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-6(10)3-8-4-7(2)13-9-11-5-12-14(8)9/h4-6H,3,10H2,1-2H3.
What are the key properties of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine?
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine has a molecular weight of 191.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propan-2-amine is sourced from PubChem (CID 63196488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).