2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide

C12H12N10O — CID 162722766

IUPAC2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide
SMILESNNC(=O)c1cnc(Cn2nnc(-c3ccc(N)nc3)n2)nc1
InChIInChI=1S/C12H12N10O/c13-9-2-1-7(3-15-9)11-19-21-22(20-11)6-10-16-4-8(5-17-10)12(23)18-14/h1-5H,6,14H2,(H2,13,15)(H,18,23)
InChIKeyXVCKIWRPEIATHM-UHFFFAOYSA-N
MW312.30 g/mol
LogP-1.24
Rot. Bonds4

About 2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide

2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide (PubChem CID 162722766) has the molecular formula C12H12N10O and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide
PubChem CID162722766
Molecular FormulaC12H12N10O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide
SMILESNNC(=O)c1cnc(Cn2nnc(-c3ccc(N)nc3)n2)nc1
InChIInChI=1S/C12H12N10O/c13-9-2-1-7(3-15-9)11-19-21-22(20-11)6-10-16-4-8(5-17-10)12(23)18-14/h1-5H,6,14H2,(H2,13,15)(H,18,23)
InChIKeyXVCKIWRPEIATHM-UHFFFAOYSA-N
XLogP-1.24
TPSA163.41 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Verdinexor
CID 71492799
N-[(E)-pyridin-3-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 6884292
N-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1253399
N-(3-(4-Methylpiperazin-1-yl)-1-(5-methylpyridin-2-yl)-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357884
5-amino-1-phenyl-N'-(3-pyridinylmethylene)-1H-pyrazole-4-carbohydrazide
CID 6877166
6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 155560668
(5-Amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-pyridin-3-ylmethanone
CID 162652373
3-(4-methylpiperazin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanamide
CID 168271682
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 14501860
2-[5-(pyridin-3-yl)-1H-1,2,4-triazol-3-yl]acetamide
CID 33730938
N-[3-[4-(2-methylpropyl)piperazin-1-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357961
2-amino-6-fluoro-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199141

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide?
The IUPAC name of 2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide (CID 162722766) is 2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide?
The canonical SMILES for 2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide is NNC(=O)c1cnc(Cn2nnc(-c3ccc(N)nc3)n2)nc1.
What is the InChIKey of 2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide?
The InChIKey is XVCKIWRPEIATHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N10O/c13-9-2-1-7(3-15-9)11-19-21-22(20-11)6-10-16-4-8(5-17-10)12(23)18-14/h1-5H,6,14H2,(H2,13,15)(H,18,23).
What are the key properties of 2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide?
2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide has a molecular weight of 312.30 g/mol, XLogP of -1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(6-amino-3-pyridinyl)tetrazol-2-yl]methyl]pyrimidine-5-carbohydrazide is sourced from PubChem (CID 162722766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).