N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine

C13H13N7 — CID 99795955

IUPACN-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine
SMILESc1cncc(Cn2cc(CNc3cnccn3)nn2)c1
InChIInChI=1S/C13H13N7/c1-2-11(6-14-3-1)9-20-10-12(18-19-20)7-17-13-8-15-4-5-16-13/h1-6,8,10H,7,9H2,(H,16,17)
InChIKeyWZMAAUNYJXKOMX-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.12
Rot. Bonds5

About N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine

N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine (PubChem CID 99795955) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine
PubChem CID99795955
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC NameN-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine
SMILESc1cncc(Cn2cc(CNc3cnccn3)nn2)c1
InChIInChI=1S/C13H13N7/c1-2-11(6-14-3-1)9-20-10-12(18-19-20)7-17-13-8-15-4-5-16-13/h1-6,8,10H,7,9H2,(H,16,17)
InChIKeyWZMAAUNYJXKOMX-UHFFFAOYSA-N
XLogP1.12
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194729
2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine
CID 66830045
3-[[4-(1-chloroethyl)triazol-1-yl]methyl]pyridine
CID 81449718
3-[[4-(diethoxymethyl)triazol-1-yl]methyl]pyridine
CID 66216761
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine
CID 129003334
N-[[4-(aminomethyl)phenyl]methyl]pyrazin-2-amine
CID 60918656
N-(1,3-oxazol-4-ylmethyl)pyrazin-2-amine
CID 130667904
[1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine
CID 62054119
4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole
CID 167918882
N-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193895
3-[[4-[[4-[3-[(sulfinoamino)methyl]phenyl]piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
CID 155092217
6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 166239576

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine (CID 99795955) is N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine is c1cncc(Cn2cc(CNc3cnccn3)nn2)c1.
What is the InChIKey of N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine?
The InChIKey is WZMAAUNYJXKOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c1-2-11(6-14-3-1)9-20-10-12(18-19-20)7-17-13-8-15-4-5-16-13/h1-6,8,10H,7,9H2,(H,16,17).
What are the key properties of N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine?
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine has a molecular weight of 267.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 99795955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).