3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C9H14N4 — CID 62586623

IUPAC3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1Cn2c(nnc2CC2CC2)CN1
InChIInChI=1S/C9H14N4/c1-2-7(1)5-8-11-12-9-6-10-3-4-13(8)9/h7,10H,1-6H2
InChIKeyAAXTYPXCNICSEB-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.33
Rot. Bonds2

About 3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 62586623) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID62586623
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC1Cn2c(nnc2CC2CC2)CN1
InChIInChI=1S/C9H14N4/c1-2-7(1)5-8-11-12-9-6-10-3-4-13(8)9/h7,10H,1-6H2
InChIKeyAAXTYPXCNICSEB-UHFFFAOYSA-N
XLogP0.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 62586623) is 3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is C1Cn2c(nnc2CC2CC2)CN1.
What is the InChIKey of 3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is AAXTYPXCNICSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-7(1)5-8-11-12-9-6-10-3-4-13(8)9/h7,10H,1-6H2.
What are the key properties of 3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 178.24 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 62586623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).