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

C13H17N5O2 — CID 78966269

IUPAC4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1ccnc(NCc2c(C)nn(C)c2C)c1[N+](=O)[O-]
InChIInChI=1S/C13H17N5O2/c1-8-5-6-14-13(12(8)18(19)20)15-7-11-9(2)16-17(4)10(11)3/h5-6H,7H2,1-4H3,(H,14,15)
InChIKeyKEZSBKNKTHKXQV-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.26
Rot. Bonds4

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

4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine (PubChem CID 78966269) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
PubChem CID78966269
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1ccnc(NCc2c(C)nn(C)c2C)c1[N+](=O)[O-]
InChIInChI=1S/C13H17N5O2/c1-8-5-6-14-13(12(8)18(19)20)15-7-11-9(2)16-17(4)10(11)3/h5-6H,7H2,1-4H3,(H,14,15)
InChIKeyKEZSBKNKTHKXQV-UHFFFAOYSA-N
XLogP2.26
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.26
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

4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903275
4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine
CID 114956616
5-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 78990691
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4-methyl-3-nitropyridin-2-amine
CID 133367384
2-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43718106
3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 113243769
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-nitropyridin-2-amine
CID 103704528
3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43717912
4-methyl-3-nitro-N-pentylpyridin-2-amine
CID 57153384
4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine
CID 127265038
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 78995441
2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 80525912

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine (CID 78966269) is 4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine is Cc1ccnc(NCc2c(C)nn(C)c2C)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is KEZSBKNKTHKXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8-5-6-14-13(12(8)18(19)20)15-7-11-9(2)16-17(4)10(11)3/h5-6H,7H2,1-4H3,(H,14,15).
What are the key properties of 4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 275.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 78966269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).