N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine

C17H17ClN4O2 — CID 6492060

IUPACN-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
SMILESCOc1cccc(CNc2ncn[nH]2)c1OCc1ccccc1Cl
InChIInChI=1S/C17H17ClN4O2/c1-23-15-8-4-6-12(9-19-17-20-11-21-22-17)16(15)24-10-13-5-2-3-7-14(13)18/h2-8,11H,9-10H2,1H3,(H2,19,20,21,22)
InChIKeyMQOPGNOSGQXZJD-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.66
Rot. Bonds7

About N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine

N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine (PubChem CID 6492060) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
PubChem CID6492060
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
SMILESCOc1cccc(CNc2ncn[nH]2)c1OCc1ccccc1Cl
InChIInChI=1S/C17H17ClN4O2/c1-23-15-8-4-6-12(9-19-17-20-11-21-22-17)16(15)24-10-13-5-2-3-7-14(13)18/h2-8,11H,9-10H2,1H3,(H2,19,20,21,22)
InChIKeyMQOPGNOSGQXZJD-UHFFFAOYSA-N
XLogP3.66
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine (CID 6492060) is N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine is COc1cccc(CNc2ncn[nH]2)c1OCc1ccccc1Cl.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine?
The InChIKey is MQOPGNOSGQXZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-23-15-8-4-6-12(9-19-17-20-11-21-22-17)16(15)24-10-13-5-2-3-7-14(13)18/h2-8,11H,9-10H2,1H3,(H2,19,20,21,22).
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine?
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine has a molecular weight of 344.80 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 6492060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).