N-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine

C11H20N4O — CID 91307779

IUPACN-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine
SMILESCOCc1nc(NCC2CCCCC2)n[nH]1
InChIInChI=1S/C11H20N4O/c1-16-8-10-13-11(15-14-10)12-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,12,13,14,15)
InChIKeyVHHHUHKMMACESW-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.94
Rot. Bonds5

About N-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine

N-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine (PubChem CID 91307779) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine
PubChem CID91307779
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine
SMILESCOCc1nc(NCC2CCCCC2)n[nH]1
InChIInChI=1S/C11H20N4O/c1-16-8-10-13-11(15-14-10)12-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,12,13,14,15)
InChIKeyVHHHUHKMMACESW-UHFFFAOYSA-N
XLogP1.94
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine (CID 91307779) is N-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine is COCc1nc(NCC2CCCCC2)n[nH]1.
What is the InChIKey of N-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is VHHHUHKMMACESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-16-8-10-13-11(15-14-10)12-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,12,13,14,15).
What are the key properties of N-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine?
N-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 224.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-(methoxymethyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 91307779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).