2-(5-propan-2-yltetrazol-1-yl)acetonitrile

C6H9N5 — CID 84759144

IUPAC2-(5-propan-2-yltetrazol-1-yl)acetonitrile
SMILESCC(C)c1nnnn1CC#N
InChIInChI=1S/C6H9N5/c1-5(2)6-8-9-10-11(6)4-3-7/h5H,4H2,1-2H3
InChIKeyKXASUMQHGXALRL-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.32
Rot. Bonds2

About 2-(5-propan-2-yltetrazol-1-yl)acetonitrile

2-(5-propan-2-yltetrazol-1-yl)acetonitrile (PubChem CID 84759144) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-(5-propan-2-yltetrazol-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-propan-2-yltetrazol-1-yl)acetonitrile
PubChem CID84759144
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name2-(5-propan-2-yltetrazol-1-yl)acetonitrile
SMILESCC(C)c1nnnn1CC#N
InChIInChI=1S/C6H9N5/c1-5(2)6-8-9-10-11(6)4-3-7/h5H,4H2,1-2H3
InChIKeyKXASUMQHGXALRL-UHFFFAOYSA-N
XLogP0.32
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-propan-2-yltetrazol-1-yl)acetonitrile 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-(5-pentan-3-yltetrazol-1-yl)acetonitrile
CID 84759202
5-propan-2-yltetrazole-1-carbonitrile
CID 69034463
2-(5-propan-2-yltetrazol-1-yl)ethylazanium
CID 162510129
2-(5-propan-2-yltetrazol-1-yl)acetaldehyde
CID 91459465
1-pentyl-5-propan-2-yltetrazole
CID 69031680
2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile
CID 82206632
1-[1-(5-methylhexyl)tetrazol-5-yl]ethanamine
CID 103086687
N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide
CID 84759174
2-(7-ethyl-3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetonitrile
CID 53143870
3-(5-propan-2-yltetrazol-1-yl)butan-2-ol
CID 130734820
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine
CID 107818243

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yltetrazol-1-yl)acetonitrile?
The IUPAC name of 2-(5-propan-2-yltetrazol-1-yl)acetonitrile (CID 84759144) is 2-(5-propan-2-yltetrazol-1-yl)acetonitrile.
What is the SMILES notation for 2-(5-propan-2-yltetrazol-1-yl)acetonitrile?
The canonical SMILES for 2-(5-propan-2-yltetrazol-1-yl)acetonitrile is CC(C)c1nnnn1CC#N.
What is the InChIKey of 2-(5-propan-2-yltetrazol-1-yl)acetonitrile?
The InChIKey is KXASUMQHGXALRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-5(2)6-8-9-10-11(6)4-3-7/h5H,4H2,1-2H3.
What are the key properties of 2-(5-propan-2-yltetrazol-1-yl)acetonitrile?
2-(5-propan-2-yltetrazol-1-yl)acetonitrile has a molecular weight of 151.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yltetrazol-1-yl)acetonitrile is sourced from PubChem (CID 84759144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).