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

C16H22N4 — CID 102791754

IUPAC3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccccc1Cc1nnc2n1CCNC2C(C)C
InChIInChI=1S/C16H22N4/c1-11(2)15-16-19-18-14(20(16)9-8-17-15)10-13-7-5-4-6-12(13)3/h4-7,11,15,17H,8-10H2,1-3H3
InChIKeyDPMWXOWBBSZRNW-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.48
Rot. Bonds3

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

3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791754) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791754
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1ccccc1Cc1nnc2n1CCNC2C(C)C
InChIInChI=1S/C16H22N4/c1-11(2)15-16-19-18-14(20(16)9-8-17-15)10-13-7-5-4-6-12(13)3/h4-7,11,15,17H,8-10H2,1-3H3
InChIKeyDPMWXOWBBSZRNW-UHFFFAOYSA-N
XLogP2.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791700
3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791803
3-[(2-chlorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 55091065
3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791695
5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one
CID 136742922
3-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791808
3-(1,3-dihydro-2-benzofuran-5-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791660
3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791801
(1R)-6-methyl-1-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 7446906
3-[2-(2-methylphenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62588066
[5-[(2-methylphenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594120
3-[(3-bromophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62586456

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791754) is 3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Cc1ccccc1Cc1nnc2n1CCNC2C(C)C.
What is the InChIKey of 3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is DPMWXOWBBSZRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)15-16-19-18-14(20(16)9-8-17-15)10-13-7-5-4-6-12(13)3/h4-7,11,15,17H,8-10H2,1-3H3.
What are the key properties of 3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 270.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).