1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine

C9H12N4O2 — CID 62475699

IUPAC1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine
SMILESCc1cc([N+](=O)[O-])cnc1NC1CC1N
InChIInChI=1S/C9H12N4O2/c1-5-2-6(13(14)15)4-11-9(5)12-8-3-7(8)10/h2,4,7-8H,3,10H2,1H3,(H,11,12)
InChIKeyWAVNFDGDYVRRJY-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.81
Rot. Bonds3

About 1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine

1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine (PubChem CID 62475699) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine
PubChem CID62475699
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine
SMILESCc1cc([N+](=O)[O-])cnc1NC1CC1N
InChIInChI=1S/C9H12N4O2/c1-5-2-6(13(14)15)4-11-9(5)12-8-3-7(8)10/h2,4,7-8H,3,10H2,1H3,(H,11,12)
InChIKeyWAVNFDGDYVRRJY-UHFFFAOYSA-N
XLogP0.81
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 55080985
3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine
CID 62476705
N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine
CID 62475877
3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103704257
N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine
CID 133399425
1-cyclopropyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115301466
N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine
CID 133473587
N-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-methyl-5-nitropyridin-2-amine
CID 129471050
N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78951023
N-(3,3-dimethylbutan-2-yl)-3-methyl-5-nitropyridin-2-amine
CID 113457884
N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine
CID 103894571
3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine
CID 83025553

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine?
The IUPAC name of 1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine (CID 62475699) is 1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine?
The canonical SMILES for 1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine is Cc1cc([N+](=O)[O-])cnc1NC1CC1N.
What is the InChIKey of 1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine?
The InChIKey is WAVNFDGDYVRRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-5-2-6(13(14)15)4-11-9(5)12-8-3-7(8)10/h2,4,7-8H,3,10H2,1H3,(H,11,12).
What are the key properties of 1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine?
1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine has a molecular weight of 208.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine is sourced from PubChem (CID 62475699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).