N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine

C12H13N7 — CID 62755770

IUPACN-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine
SMILESCn1cc(CNc2ccc(-n3cccn3)nc2)nn1
InChIInChI=1S/C12H13N7/c1-18-9-11(16-17-18)8-13-10-3-4-12(14-7-10)19-6-2-5-15-19/h2-7,9,13H,8H2,1H3
InChIKeySQBLWXAXBOSLEW-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.01
Rot. Bonds4

About N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine

N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine (PubChem CID 62755770) has the molecular formula C12H13N7 and a molecular weight of 255.29 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine
PubChem CID62755770
Molecular FormulaC12H13N7
Molecular Weight255.29 g/mol
Exact Mass255.12
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine
SMILESCn1cc(CNc2ccc(-n3cccn3)nc2)nn1
InChIInChI=1S/C12H13N7/c1-18-9-11(16-17-18)8-13-10-3-4-12(14-7-10)19-6-2-5-15-19/h2-7,9,13H,8H2,1H3
InChIKeySQBLWXAXBOSLEW-UHFFFAOYSA-N
XLogP1.01
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 735132
2-(1,1-Difluoroethyl)-5-Methyl-N-[6-(Trifluoromethyl)pyridin-3-Yl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 122552662
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-nitropyridine
CID 2740944
3-methyl-4-nitroso-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 5138169
2-Methyl-(1,2,4)triazolo(1,5-a)pyridin-8-amine
CID 590472
Pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 10441749
Arylpyrazole, 23
CID 44143423
Imidazo[1,2-b]pyridazine deriv. 3
CID 6539042
1-[6-(1,4-Diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridazine
CID 137656007
2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]-3-pyridinylamine
CID 1473015
2,6-bis(3-methyl-1H-pyrazol-1-yl)pyridine
CID 850137
1-Methyl-2-[1,2,3]triazol-2-yl-1H-imidazo[4,5-c]pyridin-4-ylamine
CID 11494318

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine (CID 62755770) is N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine is Cn1cc(CNc2ccc(-n3cccn3)nc2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine?
The InChIKey is SQBLWXAXBOSLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-18-9-11(16-17-18)8-13-10-3-4-12(14-7-10)19-6-2-5-15-19/h2-7,9,13H,8H2,1H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine?
N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine has a molecular weight of 255.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 62755770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).