N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine

C13H15N5O2 — CID 122138548

IUPACN-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC1CCc2cn[nH]c2C1
InChIInChI=1S/C13H15N5O2/c1-8-4-11(18(19)20)7-14-13(8)16-10-3-2-9-6-15-17-12(9)5-10/h4,6-7,10H,2-3,5H2,1H3,(H,14,16)(H,15,17)
InChIKeyIRUPLNOPYMPNBS-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.99
Rot. Bonds3

About N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine

N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine (PubChem CID 122138548) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine.

Molecular Properties

Compound NameN-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine
PubChem CID122138548
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC1CCc2cn[nH]c2C1
InChIInChI=1S/C13H15N5O2/c1-8-4-11(18(19)20)7-14-13(8)16-10-3-2-9-6-15-17-12(9)5-10/h4,6-7,10H,2-3,5H2,1H3,(H,14,16)(H,15,17)
InChIKeyIRUPLNOPYMPNBS-UHFFFAOYSA-N
XLogP1.99
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.99
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

3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103704257
N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine
CID 133399425
N-(3-methyl-5-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281537
1-(2-methyl-4-nitrophenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 86804058
1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine
CID 62475699
N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine
CID 133473587
2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 55080985
2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376408
N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78951023
N-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-methyl-5-nitropyridin-2-amine
CID 129471050
(4R)-4-[(3-methyl-5-nitro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95980975
3-methyl-1-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]butan-1-one
CID 133305619

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine?
The IUPAC name of N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine (CID 122138548) is N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine.
What is the SMILES notation for N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine?
The canonical SMILES for N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine is Cc1cc([N+](=O)[O-])cnc1NC1CCc2cn[nH]c2C1.
What is the InChIKey of N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine?
The InChIKey is IRUPLNOPYMPNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-4-11(18(19)20)7-14-13(8)16-10-3-2-9-6-15-17-12(9)5-10/h4,6-7,10H,2-3,5H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine?
N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine has a molecular weight of 273.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-nitro-2-pyridinyl)-4,5,6,7-tetrahydro-1H-indazol-6-amine is sourced from PubChem (CID 122138548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).