(3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide

C14H23N5O — CID 99786666

IUPAC(3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide
SMILESCc1nnc(N[C@@H](CC(N)=O)C2CCCCC2)nc1C
InChIInChI=1S/C14H23N5O/c1-9-10(2)18-19-14(16-9)17-12(8-13(15)20)11-6-4-3-5-7-11/h11-12H,3-8H2,1-2H3,(H2,15,20)(H,16,17,19)/t12-/m0/s1
InChIKeyMBYDRACXTNMCKE-LBPRGKRZSA-N
MW277.37 g/mol
LogP1.72
Rot. Bonds5

About (3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide

(3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide (PubChem CID 99786666) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide.

Molecular Properties

Compound Name(3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide
PubChem CID99786666
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide
SMILESCc1nnc(N[C@@H](CC(N)=O)C2CCCCC2)nc1C
InChIInChI=1S/C14H23N5O/c1-9-10(2)18-19-14(16-9)17-12(8-13(15)20)11-6-4-3-5-7-11/h11-12H,3-8H2,1-2H3,(H2,15,20)(H,16,17,19)/t12-/m0/s1
InChIKeyMBYDRACXTNMCKE-LBPRGKRZSA-N
XLogP1.72
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide?
The IUPAC name of (3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide (CID 99786666) is (3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide.
What is the SMILES notation for (3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide?
The canonical SMILES for (3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide is Cc1nnc(N[C@@H](CC(N)=O)C2CCCCC2)nc1C.
What is the InChIKey of (3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide?
The InChIKey is MBYDRACXTNMCKE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N5O/c1-9-10(2)18-19-14(16-9)17-12(8-13(15)20)11-6-4-3-5-7-11/h11-12H,3-8H2,1-2H3,(H2,15,20)(H,16,17,19)/t12-/m0/s1.
What are the key properties of (3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide?
(3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexyl-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]propanamide is sourced from PubChem (CID 99786666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).