1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine

C8H10N6 — CID 167606702

IUPAC1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine
SMILESN#Cc1cnc[nH]1.NCc1cnc[nH]1
InChIInChI=1S/C4H7N3.C4H3N3/c2*5-1-4-2-6-3-7-4/h2-3H,1,5H2,(H,6,7);2-3H,(H,6,7)
InChIKeyKMELYOAQYWNRAU-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.15
Rot. Bonds1

About 1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine

1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine (PubChem CID 167606702) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine.

Molecular Properties

Compound Name1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine
PubChem CID167606702
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine
SMILESN#Cc1cnc[nH]1.NCc1cnc[nH]1
InChIInChI=1S/C4H7N3.C4H3N3/c2*5-1-4-2-6-3-7-4/h2-3H,1,5H2,(H,6,7);2-3H,(H,6,7)
InChIKeyKMELYOAQYWNRAU-UHFFFAOYSA-N
XLogP0.15
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1H-imidazole-5-carbonitrile;hydrate
CID 172852238
(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine
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CID 174826915
2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
CID 67652425
4-(1H-imidazol-5-yl)but-3-ynenitrile
CID 170474200
4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360
chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine
CID 67432919
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
6-[2-(1H-imidazol-5-yl)ethylamino]pyridine-2-carbonitrile
CID 65232033
5-but-1-ynyl-1H-imidazole
CID 141192451
2-(1H-imidazol-5-yl)acetamide;hydrochloride
CID 67500696
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CID 53313193

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine?
The IUPAC name of 1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine (CID 167606702) is 1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine.
What is the SMILES notation for 1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine?
The canonical SMILES for 1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine is N#Cc1cnc[nH]1.NCc1cnc[nH]1.
What is the InChIKey of 1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine?
The InChIKey is KMELYOAQYWNRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.C4H3N3/c2*5-1-4-2-6-3-7-4/h2-3H,1,5H2,(H,6,7);2-3H,(H,6,7).
What are the key properties of 1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine?
1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine has a molecular weight of 190.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine is sourced from PubChem (CID 167606702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).