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

C9H13N5 — CID 130965197

IUPACN-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
SMILESCNCC(C)c1nnc2ccncn12
InChIInChI=1S/C9H13N5/c1-7(5-10-2)9-13-12-8-3-4-11-6-14(8)9/h3-4,6-7,10H,5H2,1-2H3
InChIKeyCXTNFDVHCJKQPT-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.45
Rot. Bonds3

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

N-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine (PubChem CID 130965197) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
PubChem CID130965197
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
SMILESCNCC(C)c1nnc2ccncn12
InChIInChI=1S/C9H13N5/c1-7(5-10-2)9-13-12-8-3-4-11-6-14(8)9/h3-4,6-7,10H,5H2,1-2H3
InChIKeyCXTNFDVHCJKQPT-UHFFFAOYSA-N
XLogP0.45
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine
CID 131052358
2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)butan-1-amine
CID 79817570
N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 127008794
ethyl 2-phenyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)acetate
CID 79826968
ethyl 2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)pentanoate
CID 79822751
2-methyl-1-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
CID 79818137
N-ethyl-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 62852609
2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine
CID 79817366
(3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 82506769
N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 105439687
1-pyridin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43685630
N-ethyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-amine
CID 103294075

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine?
The IUPAC name of N-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine (CID 130965197) is N-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine is CNCC(C)c1nnc2ccncn12.
What is the InChIKey of N-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine?
The InChIKey is CXTNFDVHCJKQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-7(5-10-2)9-13-12-8-3-4-11-6-14(8)9/h3-4,6-7,10H,5H2,1-2H3.
What are the key properties of N-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine?
N-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine has a molecular weight of 191.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine is sourced from PubChem (CID 130965197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).