4-(tetrazol-1-yl)pyrimidin-2-amine

C5H5N7 — CID 118272412

IUPAC4-(tetrazol-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-n2cnnn2)n1
InChIInChI=1S/C5H5N7/c6-5-7-2-1-4(9-5)12-3-8-10-11-12/h1-3H,(H2,6,7,9)
InChIKeyQRQVVLDATXULIQ-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.97
Rot. Bonds1

About 4-(tetrazol-1-yl)pyrimidin-2-amine

4-(tetrazol-1-yl)pyrimidin-2-amine (PubChem CID 118272412) has the molecular formula C5H5N7 and a molecular weight of 163.14 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(tetrazol-1-yl)pyrimidin-2-amine
PubChem CID118272412
Molecular FormulaC5H5N7
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name4-(tetrazol-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-n2cnnn2)n1
InChIInChI=1S/C5H5N7/c6-5-7-2-1-4(9-5)12-3-8-10-11-12/h1-3H,(H2,6,7,9)
InChIKeyQRQVVLDATXULIQ-UHFFFAOYSA-N
XLogP-0.97
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(tetrazol-1-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(tetrazol-1-yl)pyridine
CID 11679840
3-(tetrazol-1-yl)pyridazine
CID 121305986
5-chloro-2-(tetrazol-1-yl)pyridine
CID 102567268
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine
CID 144874122
1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine
CID 88992204
4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine
CID 178108093
4-pyrrolo[2,3-c]pyridin-1-ylpyrimidin-2-amine
CID 71580743
(2S)-2-amino-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol
CID 118225274
2-methyl-3-(2-methylbutan-2-yl)-6-(tetrazol-1-yl)pyridine
CID 130474370
4-(2-aminopyrimidin-4-yl)-1,4-diazepan-2-one
CID 80842304
2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol
CID 67516823

Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(tetrazol-1-yl)pyrimidin-2-amine (CID 118272412) is 4-(tetrazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(tetrazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(tetrazol-1-yl)pyrimidin-2-amine is Nc1nccc(-n2cnnn2)n1.
What is the InChIKey of 4-(tetrazol-1-yl)pyrimidin-2-amine?
The InChIKey is QRQVVLDATXULIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N7/c6-5-7-2-1-4(9-5)12-3-8-10-11-12/h1-3H,(H2,6,7,9).
What are the key properties of 4-(tetrazol-1-yl)pyrimidin-2-amine?
4-(tetrazol-1-yl)pyrimidin-2-amine has a molecular weight of 163.14 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 118272412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).