N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C16H24N8O2 — CID 126433181

IUPACN-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCOCCn1cnnc1[C@H](C)NC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H24N8O2/c1-13(14-21-19-12-24(14)10-11-26-2)20-16(25)23-8-6-22(7-9-23)15-17-4-3-5-18-15/h3-5,12-13H,6-11H2,1-2H3,(H,20,25)/t13-/m0/s1
InChIKeySLFQYCLNHWNVID-ZDUSSCGKSA-N
MW360.42 g/mol
LogP0.31
Rot. Bonds6

About N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 126433181) has the molecular formula C16H24N8O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID126433181
Molecular FormulaC16H24N8O2
Molecular Weight360.42 g/mol
Exact Mass360.20
IUPAC NameN-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCOCCn1cnnc1[C@H](C)NC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H24N8O2/c1-13(14-21-19-12-24(14)10-11-26-2)20-16(25)23-8-6-22(7-9-23)15-17-4-3-5-18-15/h3-5,12-13H,6-11H2,1-2H3,(H,20,25)/t13-/m0/s1
InChIKeySLFQYCLNHWNVID-ZDUSSCGKSA-N
XLogP0.31
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122565794
N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]thiomorpholine-4-carboxamide
CID 122562432
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97192390
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 131893212
2-acetamido-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
CID 121494830
5-ethyl-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 125178761
5-ethyl-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 125178759
4-(4-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 95126891
4-(4-methoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 95126890
3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
CID 125177563
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 118794327
N-[1-(4-tert-butylphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60543582

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 126433181) is N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is COCCn1cnnc1[C@H](C)NC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is SLFQYCLNHWNVID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N8O2/c1-13(14-21-19-12-24(14)10-11-26-2)20-16(25)23-8-6-22(7-9-23)15-17-4-3-5-18-15/h3-5,12-13H,6-11H2,1-2H3,(H,20,25)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 126433181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).