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

C12H19N5O — CID 144655714

IUPACN,N-dimethyl-4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(Nc2cnncn2)CC1
InChIInChI=1S/C12H19N5O/c1-17(2)12(18)9-3-5-10(6-4-9)16-11-7-14-15-8-13-11/h7-10H,3-6H2,1-2H3,(H,13,15,16)
InChIKeyPGXCWJUUYRHFRB-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.93
Rot. Bonds3

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

N,N-dimethyl-4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide (PubChem CID 144655714) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N,N-dimethyl-4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide
PubChem CID144655714
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN,N-dimethyl-4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(Nc2cnncn2)CC1
InChIInChI=1S/C12H19N5O/c1-17(2)12(18)9-3-5-10(6-4-9)16-11-7-14-15-8-13-11/h7-10H,3-6H2,1-2H3,(H,13,15,16)
InChIKeyPGXCWJUUYRHFRB-UHFFFAOYSA-N
XLogP0.93
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide (CID 144655714) is N,N-dimethyl-4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide is CN(C)C(=O)C1CCC(Nc2cnncn2)CC1.
What is the InChIKey of N,N-dimethyl-4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide?
The InChIKey is PGXCWJUUYRHFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-17(2)12(18)9-3-5-10(6-4-9)16-11-7-14-15-8-13-11/h7-10H,3-6H2,1-2H3,(H,13,15,16).
What are the key properties of N,N-dimethyl-4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide?
N,N-dimethyl-4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1,2,4-triazin-5-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 144655714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).