N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide

C16H23N7O — CID 129340995

IUPACN-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
SMILESC[C@@H](CC1CC1)NC(=O)N1CCN(c2cncc3ncnn23)CC1
InChIInChI=1S/C16H23N7O/c1-12(8-13-2-3-13)20-16(24)22-6-4-21(5-7-22)15-10-17-9-14-18-11-19-23(14)15/h9-13H,2-8H2,1H3,(H,20,24)/t12-/m0/s1
InChIKeyQUSSBFFNVVMPJF-LBPRGKRZSA-N
MW329.41 g/mol
LogP1.14
Rot. Bonds4

About N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide

N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide (PubChem CID 129340995) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
PubChem CID129340995
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide
SMILESC[C@@H](CC1CC1)NC(=O)N1CCN(c2cncc3ncnn23)CC1
InChIInChI=1S/C16H23N7O/c1-12(8-13-2-3-13)20-16(24)22-6-4-21(5-7-22)15-10-17-9-14-18-11-19-23(14)15/h9-13H,2-8H2,1H3,(H,20,24)/t12-/m0/s1
InChIKeyQUSSBFFNVVMPJF-LBPRGKRZSA-N
XLogP1.14
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-2-methyl-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]propan-1-one
CID 128966883
cis-(1R,3S)-2,2-dimethyl-3-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066912
2-[(2R)-oxan-2-yl]-1-[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]ethanone
CID 129474593
N-(1-cyclopropylpropan-2-yl)morpholine-4-carboxamide
CID 115624308
N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714063
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
N-[(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide
CID 125445595
N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 126793104
1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63996144
4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 128969218
N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113104409
6-(1-cyclopropylpropan-2-ylamino)pyrazine-2-carboxylic acid
CID 66451523

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide (CID 129340995) is N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide is C[C@@H](CC1CC1)NC(=O)N1CCN(c2cncc3ncnn23)CC1.
What is the InChIKey of N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide?
The InChIKey is QUSSBFFNVVMPJF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N7O/c1-12(8-13-2-3-13)20-16(24)22-6-4-21(5-7-22)15-10-17-9-14-18-11-19-23(14)15/h9-13H,2-8H2,1H3,(H,20,24)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide?
N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-cyclopropylpropan-2-yl]-4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 129340995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).