N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline

C13H12N6 — CID 62762707

IUPACN-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline
SMILESc1cnc(CNc2ccc(-n3cncn3)cc2)cn1
InChIInChI=1S/C13H12N6/c1-3-13(19-10-15-9-18-19)4-2-11(1)17-8-12-7-14-5-6-16-12/h1-7,9-10,17H,8H2
InChIKeyBMQXRMOJCSYBEL-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.67
Rot. Bonds4

About N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline

N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline (PubChem CID 62762707) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline
PubChem CID62762707
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC NameN-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline
SMILESc1cnc(CNc2ccc(-n3cncn3)cc2)cn1
InChIInChI=1S/C13H12N6/c1-3-13(19-10-15-9-18-19)4-2-11(1)17-8-12-7-14-5-6-16-12/h1-7,9-10,17H,8H2
InChIKeyBMQXRMOJCSYBEL-UHFFFAOYSA-N
XLogP1.67
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62762369
1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine
CID 83962412
N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 167965681
N-[(3,4-dichlorophenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 60928159
N-[(5-ethylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 62345471
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 66163753
5-[[4-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115743586
N-(3-methylbutyl)-4-(1,2,4-triazol-1-yl)aniline
CID 54862631
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 71977874
3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 55110075
N-[(3-chloro-2-fluorophenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 115743587
N-[(3-bromo-4-fluorophenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 60927797

Frequently Asked Questions

What is the IUPAC name of N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline (CID 62762707) is N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline is c1cnc(CNc2ccc(-n3cncn3)cc2)cn1.
What is the InChIKey of N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline?
The InChIKey is BMQXRMOJCSYBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c1-3-13(19-10-15-9-18-19)4-2-11(1)17-8-12-7-14-5-6-16-12/h1-7,9-10,17H,8H2.
What are the key properties of N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline?
N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline has a molecular weight of 252.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 62762707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).