N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine

C14H27N5 — CID 112597464

IUPACN,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine
SMILESCCNc1nnc(CC2(NC)CCCCC2)n1CC
InChIInChI=1S/C14H27N5/c1-4-16-13-18-17-12(19(13)5-2)11-14(15-3)9-7-6-8-10-14/h15H,4-11H2,1-3H3,(H,16,18)
InChIKeyWLBLCLLEQSHPTF-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.19
Rot. Bonds6

About N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine

N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine (PubChem CID 112597464) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine
PubChem CID112597464
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine
SMILESCCNc1nnc(CC2(NC)CCCCC2)n1CC
InChIInChI=1S/C14H27N5/c1-4-16-13-18-17-12(19(13)5-2)11-14(15-3)9-7-6-8-10-14/h15H,4-11H2,1-3H3,(H,16,18)
InChIKeyWLBLCLLEQSHPTF-UHFFFAOYSA-N
XLogP2.19
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine (CID 112597464) is N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine is CCNc1nnc(CC2(NC)CCCCC2)n1CC.
What is the InChIKey of N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine?
The InChIKey is WLBLCLLEQSHPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-4-16-13-18-17-12(19(13)5-2)11-14(15-3)9-7-6-8-10-14/h15H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine?
N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine has a molecular weight of 265.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).