(3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine

C9H14N4O2 — CID 83884976

IUPAC(3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine
SMILESCc1nc([N+](=O)[O-])c2n1C(CN)CCC2
InChIInChI=1S/C9H14N4O2/c1-6-11-9(13(14)15)8-4-2-3-7(5-10)12(6)8/h7H,2-5,10H2,1H3
InChIKeyLDFHNUFRYOJJOK-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.94
Rot. Bonds2

About (3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine

(3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine (PubChem CID 83884976) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine
PubChem CID83884976
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine
SMILESCc1nc([N+](=O)[O-])c2n1C(CN)CCC2
InChIInChI=1S/C9H14N4O2/c1-6-11-9(13(14)15)8-4-2-3-7(5-10)12(6)8/h7H,2-5,10H2,1H3
InChIKeyLDFHNUFRYOJJOK-UHFFFAOYSA-N
XLogP0.94
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
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

[1-(2,3-dimethyl-5-nitroimidazol-4-yl)-6-methylpiperidin-3-yl]methanamine
CID 103555008
[1-chloro-3-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanamine
CID 83899246
5-bromo-1-(cyclopropylmethyl)-2-methyl-4-nitroimidazole
CID 15154427
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-methyl-4-nitroimidazol-1-yl)propan-1-one
CID 119631629
(3-chloro-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl)methanamine
CID 83869946
(3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl)methanamine
CID 83869944
[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 83271828
[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine
CID 103080353
[1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 115313331
1-(2,3-dimethyl-5-nitroimidazol-4-yl)-4-methylpyrrolidin-3-amine
CID 103577754
4-N-(2,3-dimethyl-5-nitroimidazol-4-yl)cyclohexane-1,4-diamine
CID 103554754
N-(2-ethylcyclohexyl)-2,3-dimethyl-5-nitroimidazol-4-amine
CID 103554797

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine?
The IUPAC name of (3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine (CID 83884976) is (3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine.
What is the SMILES notation for (3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine?
The canonical SMILES for (3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine is Cc1nc([N+](=O)[O-])c2n1C(CN)CCC2.
What is the InChIKey of (3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine?
The InChIKey is LDFHNUFRYOJJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-11-9(13(14)15)8-4-2-3-7(5-10)12(6)8/h7H,2-5,10H2,1H3.
What are the key properties of (3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine?
(3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine has a molecular weight of 210.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-nitro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine is sourced from PubChem (CID 83884976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).