2-(1H-imidazol-5-ylamino)propanenitrile

C6H8N4 — CID 141386432

IUPAC2-(1H-imidazol-5-ylamino)propanenitrile
SMILESCC(C#N)Nc1cnc[nH]1
InChIInChI=1S/C6H8N4/c1-5(2-7)10-6-3-8-4-9-6/h3-5,10H,1H3,(H,8,9)
InChIKeyIPJZVASFZNXZGB-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.73
Rot. Bonds2

About 2-(1H-imidazol-5-ylamino)propanenitrile

2-(1H-imidazol-5-ylamino)propanenitrile (PubChem CID 141386432) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylamino)propanenitrile.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylamino)propanenitrile
PubChem CID141386432
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name2-(1H-imidazol-5-ylamino)propanenitrile
SMILESCC(C#N)Nc1cnc[nH]1
InChIInChI=1S/C6H8N4/c1-5(2-7)10-6-3-8-4-9-6/h3-5,10H,1H3,(H,8,9)
InChIKeyIPJZVASFZNXZGB-UHFFFAOYSA-N
XLogP0.73
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-1H-imidazol-5-amine
CID 57320471
2-(1H-imidazol-5-yl)-2-(methylamino)acetonitrile
CID 84817577
N-(2,2-dimethylpropyl)-1H-imidazol-5-amine
CID 130635294
N-(1H-imidazol-5-yl)formamide;hydrochloride
CID 174934160
2-(4-chloroanilino)propanenitrile
CID 60987659
N-(2-propan-2-ylcyclobutyl)-1H-imidazol-5-amine
CID 130668774
carbon dioxide;1-(1H-imidazol-5-yl)ethanamine
CID 176541381
1H-imidazole-5-carbonitrile;hydrate
CID 172852238
(2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine
CID 10447569
3-[[cyano(1H-imidazol-5-yl)methyl]amino]propanoic acid
CID 84817550
(2S,3S)-3-(1H-imidazol-5-yl)butan-2-amine;dihydrobromide
CID 45262234
1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine
CID 167606702

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylamino)propanenitrile?
The IUPAC name of 2-(1H-imidazol-5-ylamino)propanenitrile (CID 141386432) is 2-(1H-imidazol-5-ylamino)propanenitrile.
What is the SMILES notation for 2-(1H-imidazol-5-ylamino)propanenitrile?
The canonical SMILES for 2-(1H-imidazol-5-ylamino)propanenitrile is CC(C#N)Nc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-ylamino)propanenitrile?
The InChIKey is IPJZVASFZNXZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-5(2-7)10-6-3-8-4-9-6/h3-5,10H,1H3,(H,8,9).
What are the key properties of 2-(1H-imidazol-5-ylamino)propanenitrile?
2-(1H-imidazol-5-ylamino)propanenitrile has a molecular weight of 136.16 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylamino)propanenitrile is sourced from PubChem (CID 141386432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).