5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C8H10N6 — CID 168873789

IUPAC5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)C=CC(=C1CCN1)N2
InChIInChI=1S/C8H10N6/c9-7-12-8-11-6(5-1-3-10-5)2-4-14(8)13-7/h2,4,10H,1,3H2,(H3,9,11,12,13)
InChIKeyYLVRFMCGRWWMNV-UHFFFAOYSA-N
MW190.21 g/mol
LogP-0.04
Rot. Bonds

About 5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 168873789) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID168873789
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)C=CC(=C1CCN1)N2
InChIInChI=1S/C8H10N6/c9-7-12-8-11-6(5-1-3-10-5)2-4-14(8)13-7/h2,4,10H,1,3H2,(H3,9,11,12,13)
InChIKeyYLVRFMCGRWWMNV-UHFFFAOYSA-N
XLogP-0.04
TPSA80.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1Z)-1-aminohepta-1,4,6-trien-3-yl]-3-N-methyl-1,2,4-triazole-3,5-diamine;ethane
CID 142899496
1-[(1Z)-1-aminohepta-1,4,6-trien-3-yl]-3-N-methyl-1,2,4-triazole-3,5-diamine
CID 142899497

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 168873789) is 5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2n(n1)C=CC(=C1CCN1)N2.
What is the InChIKey of 5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is YLVRFMCGRWWMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c9-7-12-8-11-6(5-1-3-10-5)2-4-14(8)13-7/h2,4,10H,1,3H2,(H3,9,11,12,13).
What are the key properties of 5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 190.21 g/mol, XLogP of -0.04, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-2-ylidene)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 168873789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).