N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine

C15H21N7O2 — CID 133281109

IUPACN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
SMILESCc1nn(C)c(N(C)C2CCCN(c3cccnn3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H21N7O2/c1-11-14(22(23)24)15(20(3)18-11)19(2)12-6-5-9-21(10-12)13-7-4-8-16-17-13/h4,7-8,12H,5-6,9-10H2,1-3H3
InChIKeyYAIBRIUYRZAQJS-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.53
Rot. Bonds4

About N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine

N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 133281109) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID133281109
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC NameN-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
SMILESCc1nn(C)c(N(C)C2CCCN(c3cccnn3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H21N7O2/c1-11-14(22(23)24)15(20(3)18-11)19(2)12-6-5-9-21(10-12)13-7-4-8-16-17-13/h4,7-8,12H,5-6,9-10H2,1-3H3
InChIKeyYAIBRIUYRZAQJS-UHFFFAOYSA-N
XLogP1.53
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide
CID 133281136
N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281123
6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281138
6-ethyl-N-methyl-2-(4-nitrophenyl)-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281141
N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281145
N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine
CID 95599803
(3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95336321
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 56778134
N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281117
3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119879707
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrazin-2-amine
CID 133281189
6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine
CID 133379059

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine (CID 133281109) is N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine is Cc1nn(C)c(N(C)C2CCCN(c3cccnn3)C2)c1[N+](=O)[O-].
What is the InChIKey of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is YAIBRIUYRZAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-11-14(22(23)24)15(20(3)18-11)19(2)12-6-5-9-21(10-12)13-7-4-8-16-17-13/h4,7-8,12H,5-6,9-10H2,1-3H3.
What are the key properties of N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 331.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 133281109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).