5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine

C11H14N4O — CID 170147924

IUPAC5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine
SMILESCC(C)Oc1cccc(-c2n[nH]nc2N)c1
InChIInChI=1S/C11H14N4O/c1-7(2)16-9-5-3-4-8(6-9)10-11(12)14-15-13-10/h3-7H,1-2H3,(H3,12,13,14,15)
InChIKeyIPNBUZHXBWWOFB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.84
Rot. Bonds3

About 5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine

5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine (PubChem CID 170147924) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine.

Molecular Properties

Compound Name5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine
PubChem CID170147924
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine
SMILESCC(C)Oc1cccc(-c2n[nH]nc2N)c1
InChIInChI=1S/C11H14N4O/c1-7(2)16-9-5-3-4-8(6-9)10-11(12)14-15-13-10/h3-7H,1-2H3,(H3,12,13,14,15)
InChIKeyIPNBUZHXBWWOFB-UHFFFAOYSA-N
XLogP1.84
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-octoxyphenyl)-2H-triazole
CID 145973931
4-(3-ethoxyphenyl)-2H-triazole
CID 145973675
5-(3-Methoxy-phenyl)-4-methyl-2H-pyrazol-3-ylamine
CID 6484151
4-(3-phenoxyphenyl)-1H-1,2,3-triazole-5-carbonitrile
CID 6411993
5-[3-methyl-5-(4,4,4-trifluorobutoxy)phenyl]-2H-triazole-4-carbonitrile
CID 122477329
5-[3-(4,4-difluorocyclohexyl)oxyphenyl]-2H-triazole-4-carbonitrile
CID 122478164
5-[3-[(2,2-difluorocyclopropyl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122478197
5-[3-[(E)-3-(4-fluorophenyl)prop-2-enoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479581
5-[3-[2-(2-fluorophenyl)ethoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479630
5-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479631
5-[3-[2-(3-fluorophenyl)ethoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479632
5-[3-(4,4,4-trifluorobutoxy)phenyl]-2H-triazole-4-carbonitrile
CID 122479634

Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine?
The IUPAC name of 5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine (CID 170147924) is 5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine.
What is the SMILES notation for 5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine?
The canonical SMILES for 5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine is CC(C)Oc1cccc(-c2n[nH]nc2N)c1.
What is the InChIKey of 5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine?
The InChIKey is IPNBUZHXBWWOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7(2)16-9-5-3-4-8(6-9)10-11(12)14-15-13-10/h3-7H,1-2H3,(H3,12,13,14,15).
What are the key properties of 5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine?
5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine has a molecular weight of 218.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yloxyphenyl)-2H-triazol-4-amine is sourced from PubChem (CID 170147924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).