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

C12H20N4 — CID 102791700

IUPAC3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)C1NCCn2c(CC3CC3)nnc21
InChIInChI=1S/C12H20N4/c1-8(2)11-12-15-14-10(7-9-3-4-9)16(12)6-5-13-11/h8-9,11,13H,3-7H2,1-2H3
InChIKeyXLFDFLNXNHSZKY-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.53
Rot. Bonds3

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

3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791700) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791700
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)C1NCCn2c(CC3CC3)nnc21
InChIInChI=1S/C12H20N4/c1-8(2)11-12-15-14-10(7-9-3-4-9)16(12)6-5-13-11/h8-9,11,13H,3-7H2,1-2H3
InChIKeyXLFDFLNXNHSZKY-UHFFFAOYSA-N
XLogP1.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791700) is 3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)C1NCCn2c(CC3CC3)nnc21.
What is the InChIKey of 3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XLFDFLNXNHSZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8(2)11-12-15-14-10(7-9-3-4-9)16(12)6-5-13-11/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of 3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 220.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).