3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine

C7H10N4O2 — CID 169463672

IUPAC3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine
SMILESCc1nc(C=CCN)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C7H10N4O2/c1-5-9-6(3-2-4-8)7(10-5)11(12)13/h2-3H,4,8H2,1H3,(H,9,10)
InChIKeyZEWWIOCDSOAKHR-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.60
Rot. Bonds3

About 3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine

3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine (PubChem CID 169463672) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine
PubChem CID169463672
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine
SMILESCc1nc(C=CCN)c([N+](=O)[O-])[nH]1
InChIInChI=1S/C7H10N4O2/c1-5-9-6(3-2-4-8)7(10-5)11(12)13/h2-3H,4,8H2,1H3,(H,9,10)
InChIKeyZEWWIOCDSOAKHR-UHFFFAOYSA-N
XLogP0.60
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-enoate
CID 169480435
2,4-dimethyl-5-nitro-1H-imidazole
CID 135554430
2,4-dimethyl-5-nitro-1H-imidazole;hydrochloride
CID 137278553
2-methyl-5-nitro-1H-imidazole-4-thiol
CID 3628941
9H-fluoren-9-ylmethyl N-[4-(2-methyl-5-nitro-1H-imidazol-4-yl)but-3-enyl]carbamate
CID 170492365
3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine
CID 169463871
2-methyl-5-nitro-4-(oxiran-2-ylmethyl)-1H-imidazole
CID 175965358
5-[(Z)-but-1-enyl]-2-methyl-1H-imidazol-4-amine
CID 143516270
N-methyl-4-(2-methyl-5-nitro-1H-imidazol-4-yl)but-3-yn-1-amine
CID 170464423
2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propanamide
CID 171868304
1-chloro-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propan-2-ol;hydrochloride
CID 175367446
3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propane-1,2-diol
CID 3100200

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine?
The IUPAC name of 3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine (CID 169463672) is 3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine is Cc1nc(C=CCN)c([N+](=O)[O-])[nH]1.
What is the InChIKey of 3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine?
The InChIKey is ZEWWIOCDSOAKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-5-9-6(3-2-4-8)7(10-5)11(12)13/h2-3H,4,8H2,1H3,(H,9,10).
What are the key properties of 3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine?
3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine has a molecular weight of 182.18 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-nitro-1H-imidazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 169463672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).