(2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide

C16H24N6O — CID 95311804

IUPAC(2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide
SMILESCc1nnc2n1CCN([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2
InChIInChI=1S/C16H24N6O/c1-12(15(23)18-16(11-17)6-4-3-5-7-16)21-8-9-22-13(2)19-20-14(22)10-21/h12H,3-10H2,1-2H3,(H,18,23)/t12-/m0/s1
InChIKeyDNPLRPBFQFYUBJ-LBPRGKRZSA-N
MW316.41 g/mol
LogP1.13
Rot. Bonds3

About (2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide

(2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide (PubChem CID 95311804) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is (2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide
PubChem CID95311804
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name(2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide
SMILESCc1nnc2n1CCN([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2
InChIInChI=1S/C16H24N6O/c1-12(15(23)18-16(11-17)6-4-3-5-7-16)21-8-9-22-13(2)19-20-14(22)10-21/h12H,3-10H2,1-2H3,(H,18,23)/t12-/m0/s1
InChIKeyDNPLRPBFQFYUBJ-LBPRGKRZSA-N
XLogP1.13
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide?
The IUPAC name of (2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide (CID 95311804) is (2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide.
What is the SMILES notation for (2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide?
The canonical SMILES for (2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide is Cc1nnc2n1CCN([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2.
What is the InChIKey of (2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide?
The InChIKey is DNPLRPBFQFYUBJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N6O/c1-12(15(23)18-16(11-17)6-4-3-5-7-16)21-8-9-22-13(2)19-20-14(22)10-21/h12H,3-10H2,1-2H3,(H,18,23)/t12-/m0/s1.
What are the key properties of (2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide?
(2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide has a molecular weight of 316.41 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-cyanocyclohexyl)-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propanamide is sourced from PubChem (CID 95311804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).