(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine

C9H11N5 — CID 165133938

IUPAC(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine
SMILESNCc1nc2ncc(C3CC3)cn2n1
InChIInChI=1S/C9H11N5/c10-3-8-12-9-11-4-7(6-1-2-6)5-14(9)13-8/h4-6H,1-3,10H2
InChIKeyYVCYLTBTIMJPRZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.46
Rot. Bonds2

About (6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine

(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine (PubChem CID 165133938) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is (6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine
PubChem CID165133938
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine
SMILESNCc1nc2ncc(C3CC3)cn2n1
InChIInChI=1S/C9H11N5/c10-3-8-12-9-11-4-7(6-1-2-6)5-14(9)13-8/h4-6H,1-3,10H2
InChIKeyYVCYLTBTIMJPRZ-UHFFFAOYSA-N
XLogP0.46
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine?
The IUPAC name of (6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine (CID 165133938) is (6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine.
What is the SMILES notation for (6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine?
The canonical SMILES for (6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine is NCc1nc2ncc(C3CC3)cn2n1.
What is the InChIKey of (6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine?
The InChIKey is YVCYLTBTIMJPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-3-8-12-9-11-4-7(6-1-2-6)5-14(9)13-8/h4-6H,1-3,10H2.
What are the key properties of (6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine?
(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine has a molecular weight of 189.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine is sourced from PubChem (CID 165133938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).