3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide

C14H23N5O2 — CID 149091110

IUPAC3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide
SMILESCc1nc(C(=O)CC2CCC(NC(=O)CCN)CC2)n[nH]1
InChIInChI=1S/C14H23N5O2/c1-9-16-14(19-18-9)12(20)8-10-2-4-11(5-3-10)17-13(21)6-7-15/h10-11H,2-8,15H2,1H3,(H,17,21)(H,16,18,19)
InChIKeyQSJWSFZDBWBAAZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.71
Rot. Bonds6

About 3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide

3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide (PubChem CID 149091110) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide
PubChem CID149091110
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide
SMILESCc1nc(C(=O)CC2CCC(NC(=O)CCN)CC2)n[nH]1
InChIInChI=1S/C14H23N5O2/c1-9-16-14(19-18-9)12(20)8-10-2-4-11(5-3-10)17-13(21)6-7-15/h10-11H,2-8,15H2,1H3,(H,17,21)(H,16,18,19)
InChIKeyQSJWSFZDBWBAAZ-UHFFFAOYSA-N
XLogP0.71
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide?
The IUPAC name of 3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide (CID 149091110) is 3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide.
What is the SMILES notation for 3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide?
The canonical SMILES for 3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide is Cc1nc(C(=O)CC2CCC(NC(=O)CCN)CC2)n[nH]1.
What is the InChIKey of 3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide?
The InChIKey is QSJWSFZDBWBAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9-16-14(19-18-9)12(20)8-10-2-4-11(5-3-10)17-13(21)6-7-15/h10-11H,2-8,15H2,1H3,(H,17,21)(H,16,18,19).
What are the key properties of 3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide?
3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide has a molecular weight of 293.37 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[2-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxoethyl]cyclohexyl]propanamide is sourced from PubChem (CID 149091110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).