4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide

C10H15N5O — CID 144986548

IUPAC4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(Nc2cnncn2)CC1
InChIInChI=1S/C10H15N5O/c11-10(16)7-1-3-8(4-2-7)15-9-5-13-14-6-12-9/h5-8H,1-4H2,(H2,11,16)(H,12,14,15)
InChIKeyLVUTVRXNUIPFRN-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.33
Rot. Bonds3

About 4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide

4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide (PubChem CID 144986548) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide
PubChem CID144986548
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(Nc2cnncn2)CC1
InChIInChI=1S/C10H15N5O/c11-10(16)7-1-3-8(4-2-7)15-9-5-13-14-6-12-9/h5-8H,1-4H2,(H2,11,16)(H,12,14,15)
InChIKeyLVUTVRXNUIPFRN-UHFFFAOYSA-N
XLogP0.33
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide (CID 144986548) is 4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide is NC(=O)C1CCC(Nc2cnncn2)CC1.
What is the InChIKey of 4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide?
The InChIKey is LVUTVRXNUIPFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c11-10(16)7-1-3-8(4-2-7)15-9-5-13-14-6-12-9/h5-8H,1-4H2,(H2,11,16)(H,12,14,15).
What are the key properties of 4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide?
4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 144986548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).