5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine

C12H15N5O2 — CID 78990691

IUPAC5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nn(C)c(C)c1CNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H15N5O2/c1-8-11(9(2)16(3)15-8)7-14-12-5-4-10(6-13-12)17(18)19/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyOZAQETRVWGYUHV-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.95
Rot. Bonds4

About 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine

5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine (PubChem CID 78990691) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
PubChem CID78990691
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nn(C)c(C)c1CNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H15N5O2/c1-8-11(9(2)16(3)15-8)7-14-12-5-4-10(6-13-12)17(18)19/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyOZAQETRVWGYUHV-UHFFFAOYSA-N
XLogP1.95
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43717912
2-methoxy-5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43717728
4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 78966269
ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79034168
2-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43718106
3-bromo-5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 103877986
2-hydroxy-4-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 86816344
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
1-(5-nitrofuran-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78943449
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 47406157
N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 115303127
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-nitropyrimidin-2-amine
CID 133467618

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine (CID 78990691) is 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine is Cc1nn(C)c(C)c1CNc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is OZAQETRVWGYUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-11(9(2)16(3)15-8)7-14-12-5-4-10(6-13-12)17(18)19/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 261.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 78990691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).