N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine

C10H14N6 — CID 66449959

IUPACN-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(-n2cncn2)n1
InChIInChI=1S/C10H14N6/c1-8(2)13-4-9-3-11-5-10(15-9)16-7-12-6-14-16/h3,5-8,13H,4H2,1-2H3
InChIKeyUBUBXTKPPACBES-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.56
Rot. Bonds4

About N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine

N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66449959) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66449959
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC NameN-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(-n2cncn2)n1
InChIInChI=1S/C10H14N6/c1-8(2)13-4-9-3-11-5-10(15-9)16-7-12-6-14-16/h3,5-8,13H,4H2,1-2H3
InChIKeyUBUBXTKPPACBES-UHFFFAOYSA-N
XLogP0.56
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,2,4-Triazol-1-yl)pyrazine-2-carbothioamide
CID 3000616
N-[(5-methylpyrazin-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 71932904
N-Hydroxy-6-[1,2,4]triazol-1-yl-pyrazine-2-carboxamidine
CID 135508900
2-methyl-3-(1H-1,2,4-triazol-1-yl)pyrazine
CID 83066557
3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine
CID 91662130
N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]pyrazin-2-amine
CID 136571601
[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]methanamine
CID 82393548
6-fluoro-N-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-amine
CID 131140757
2-Fluoro-n-[(1-methyl-1h-1,2,3-triazol-4-yl)methyl]pyrimidin-4-amine
CID 164645351
6-Fluoro-n-[(2-methyl-2h-1,2,3-triazol-4-yl)methyl]pyrazin-2-amine
CID 164646879
3-Fluoro-n-[(1-methyl-1h-imidazol-5-yl)methyl]pyrazin-2-amine
CID 164648165
3-Fluoro-n-[(1-methyl-1h-1,2,3-triazol-5-yl)methyl]pyrazin-2-amine
CID 164648188

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine (CID 66449959) is N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cncc(-n2cncn2)n1.
What is the InChIKey of N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is UBUBXTKPPACBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-8(2)13-4-9-3-11-5-10(15-9)16-7-12-6-14-16/h3,5-8,13H,4H2,1-2H3.
What are the key properties of N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 218.26 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66449959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).