4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one

C7H8N6O — CID 137272886

IUPAC4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCc2cn[nH]n2)nc[nH]1
InChIInChI=1S/C7H8N6O/c14-7-1-6(9-4-10-7)8-2-5-3-11-13-12-5/h1,3-4H,2H2,(H,11,12,13)(H2,8,9,10,14)
InChIKeyIDXSGMMWQNLRFZ-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.50
Rot. Bonds3

About 4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one

4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 137272886) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID137272886
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCc2cn[nH]n2)nc[nH]1
InChIInChI=1S/C7H8N6O/c14-7-1-6(9-4-10-7)8-2-5-3-11-13-12-5/h1,3-4H,2H2,(H,11,12,13)(H2,8,9,10,14)
InChIKeyIDXSGMMWQNLRFZ-UHFFFAOYSA-N
XLogP-0.50
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2H-triazol-4-ylmethyl)prop-2-enamide
CID 68547214
2-(2H-triazol-4-yl)-1H-pyrimidin-6-one
CID 70464935
N-{2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)amino]ethyl}-1H-1,2,3-triazole-5-carboxamide
CID 135990879
4-methyl-2-(2H-triazol-4-yl)-1H-pyrimidin-6-one
CID 136278623
4-amino-2-(2H-triazol-4-yl)-1H-pyrimidin-6-one
CID 136278646
5-bromo-4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one
CID 137273839

Frequently Asked Questions

What is the IUPAC name of 4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one (CID 137272886) is 4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one is O=c1cc(NCc2cn[nH]n2)nc[nH]1.
What is the InChIKey of 4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is IDXSGMMWQNLRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c14-7-1-6(9-4-10-7)8-2-5-3-11-13-12-5/h1,3-4H,2H2,(H,11,12,13)(H2,8,9,10,14).
What are the key properties of 4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one?
4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 192.18 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137272886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).