4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile

C9H16N6 — CID 115698081

IUPAC4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile
SMILESCC(C)(CCC#N)CNCc1nn[nH]n1
InChIInChI=1S/C9H16N6/c1-9(2,4-3-5-10)7-11-6-8-12-14-15-13-8/h11H,3-4,6-7H2,1-2H3,(H,12,13,14,15)
InChIKeyNZZFRMWOTQZGBB-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.62
Rot. Bonds6

About 4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile

4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile (PubChem CID 115698081) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile
PubChem CID115698081
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile
SMILESCC(C)(CCC#N)CNCc1nn[nH]n1
InChIInChI=1S/C9H16N6/c1-9(2,4-3-5-10)7-11-6-8-12-14-15-13-8/h11H,3-4,6-7H2,1-2H3,(H,12,13,14,15)
InChIKeyNZZFRMWOTQZGBB-UHFFFAOYSA-N
XLogP0.62
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile 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

4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
CID 103884381
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,4-dimethylpentanenitrile
CID 113240748
N-(2H-tetrazol-5-ylmethyl)prop-2-yn-1-amine
CID 63951089
4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile
CID 115652749
4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile
CID 115653083
4,4-dimethyl-5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
CID 115652255
5-[(6-methoxy-3-pyridinyl)methylamino]-4,4-dimethylpentanenitrile
CID 115651922
4,4-dimethyl-5-(pent-3-ynylamino)pentanenitrile
CID 116642917
4,4-dimethyl-5-(4,4,4-trifluorobutylamino)pentanenitrile
CID 115664335
5-(2-ethylsulfonylethylamino)-4,4-dimethylpentanenitrile
CID 115653244
5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile
CID 115751673
5-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]-4,4-dimethylpentanenitrile
CID 104757981

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile (CID 115698081) is 4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile is CC(C)(CCC#N)CNCc1nn[nH]n1.
What is the InChIKey of 4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile?
The InChIKey is NZZFRMWOTQZGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-9(2,4-3-5-10)7-11-6-8-12-14-15-13-8/h11H,3-4,6-7H2,1-2H3,(H,12,13,14,15).
What are the key properties of 4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile?
4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile has a molecular weight of 208.27 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile is sourced from PubChem (CID 115698081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).