5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine

C16H22N4O — CID 170147983

IUPAC5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine
SMILESCC1CCC(COc2cccc(-c3n[nH]nc3N)c2)CC1
InChIInChI=1S/C16H22N4O/c1-11-5-7-12(8-6-11)10-21-14-4-2-3-13(9-14)15-16(17)19-20-18-15/h2-4,9,11-12H,5-8,10H2,1H3,(H3,17,18,19,20)
InChIKeyZBNQALONXAKRSN-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.26
Rot. Bonds4

About 5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine

5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine (PubChem CID 170147983) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine.

Molecular Properties

Compound Name5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine
PubChem CID170147983
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine
SMILESCC1CCC(COc2cccc(-c3n[nH]nc3N)c2)CC1
InChIInChI=1S/C16H22N4O/c1-11-5-7-12(8-6-11)10-21-14-4-2-3-13(9-14)15-16(17)19-20-18-15/h2-4,9,11-12H,5-8,10H2,1H3,(H3,17,18,19,20)
InChIKeyZBNQALONXAKRSN-UHFFFAOYSA-N
XLogP3.26
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(cyclopropylmethoxy)phenyl]-1H-pyrazol-5-amine
CID 117330777
5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine
CID 170148065
5-[3-(1,3-oxazol-5-ylmethoxy)phenyl]-2H-triazol-4-amine
CID 170148069
5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine
CID 170147966
5-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]-1H-pyrazol-3-amine
CID 68877599
3-(piperidin-4-ylmethoxy)aniline
CID 89233329
5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine
CID 170148010
5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine
CID 170148037
2-[3-[4-(cyclopropylmethoxy)phenyl]phenoxy]acetamide
CID 72874618
4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine
CID 69228196
2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine
CID 167768126
5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402542

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine?
The IUPAC name of 5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine (CID 170147983) is 5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine.
What is the SMILES notation for 5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine?
The canonical SMILES for 5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine is CC1CCC(COc2cccc(-c3n[nH]nc3N)c2)CC1.
What is the InChIKey of 5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine?
The InChIKey is ZBNQALONXAKRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-5-7-12(8-6-11)10-21-14-4-2-3-13(9-14)15-16(17)19-20-18-15/h2-4,9,11-12H,5-8,10H2,1H3,(H3,17,18,19,20).
What are the key properties of 5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine?
5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine has a molecular weight of 286.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine is sourced from PubChem (CID 170147983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).