6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine

C12H13N7 — CID 62756492

IUPAC6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine
SMILESCn1cc(CNc2ccc(-n3ccnc3)nc2)nn1
InChIInChI=1S/C12H13N7/c1-18-8-11(16-17-18)7-14-10-2-3-12(15-6-10)19-5-4-13-9-19/h2-6,8-9,14H,7H2,1H3
InChIKeyYNINVRBHLKWDKJ-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.01
Rot. Bonds4

About 6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine

6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine (PubChem CID 62756492) has the molecular formula C12H13N7 and a molecular weight of 255.29 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine
PubChem CID62756492
Molecular FormulaC12H13N7
Molecular Weight255.29 g/mol
Exact Mass255.12
IUPAC Name6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine
SMILESCn1cc(CNc2ccc(-n3ccnc3)nc2)nn1
InChIInChI=1S/C12H13N7/c1-18-8-11(16-17-18)7-14-10-2-3-12(15-6-10)19-5-4-13-9-19/h2-6,8-9,14H,7H2,1H3
InChIKeyYNINVRBHLKWDKJ-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

N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 62755770
N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
6-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]pyridin-3-amine
CID 62957017
N-[(1-ethylpyrazol-4-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 103934270
N-tert-butyl-6-imidazol-1-ylpyridin-3-amine
CID 167253831
6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 43710494
6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
CID 66410557
4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202852
6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 62762109
6-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43710749
N-[(3,4-dichlorophenyl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 43710546

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine (CID 62756492) is 6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine is Cn1cc(CNc2ccc(-n3ccnc3)nc2)nn1.
What is the InChIKey of 6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is YNINVRBHLKWDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-18-8-11(16-17-18)7-14-10-2-3-12(15-6-10)19-5-4-13-9-19/h2-6,8-9,14H,7H2,1H3.
What are the key properties of 6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine?
6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-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 6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 62756492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).