5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide

C7H7N7O — CID 110484750

IUPAC5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide
SMILESNc1n[nH]nc1C(=O)Nc1ncccn1
InChIInChI=1S/C7H7N7O/c8-5-4(12-14-13-5)6(15)11-7-9-2-1-3-10-7/h1-3H,(H3,8,12,13,14)(H,9,10,11,15)
InChIKeyNMFPMNFAPWWVDT-UHFFFAOYSA-N
MW205.18 g/mol
LogP-0.57
Rot. Bonds2

About 5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide

5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide (PubChem CID 110484750) has the molecular formula C7H7N7O and a molecular weight of 205.18 g/mol. Its IUPAC name is 5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide
PubChem CID110484750
Molecular FormulaC7H7N7O
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide
SMILESNc1n[nH]nc1C(=O)Nc1ncccn1
InChIInChI=1S/C7H7N7O/c8-5-4(12-14-13-5)6(15)11-7-9-2-1-3-10-7/h1-3H,(H3,8,12,13,14)(H,9,10,11,15)
InChIKeyNMFPMNFAPWWVDT-UHFFFAOYSA-N
XLogP-0.57
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-amino-2H-triazole-4-carbonyl)amino]benzoic acid
CID 110484878
N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide
CID 29368084
5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide
CID 110484770
5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 110484954
5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide
CID 110485033
5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide
CID 110484935
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole-4-carboxamide
CID 110484924
N-pyrimidin-2-ylbenzamide
CID 638481
4-fluoro-N-pyrimidin-2-ylbenzamide
CID 797393
4-[[(5-amino-2H-triazole-4-carbonyl)amino]methyl]benzoic acid
CID 110484927
2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide
CID 110698347
2,3,4,5,6-pentafluoro-N-pyrimidin-2-ylbenzamide
CID 5198526

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide?
The IUPAC name of 5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide (CID 110484750) is 5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide is Nc1n[nH]nc1C(=O)Nc1ncccn1.
What is the InChIKey of 5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide?
The InChIKey is NMFPMNFAPWWVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N7O/c8-5-4(12-14-13-5)6(15)11-7-9-2-1-3-10-7/h1-3H,(H3,8,12,13,14)(H,9,10,11,15).
What are the key properties of 5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide?
5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide has a molecular weight of 205.18 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-pyrimidin-2-yl-2H-triazole-4-carboxamide is sourced from PubChem (CID 110484750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).