4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine

C17H15ClN6O — CID 139365544

IUPAC4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCOc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c1
InChIInChI=1S/C17H15ClN6O/c1-24-17(20-14-7-6-13-12(15(14)18)9-19-22-13)21-16(23-24)10-4-3-5-11(8-10)25-2/h3-9H,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyMXMIYRLGEDAQPF-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.76
Rot. Bonds4

About 4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine

4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine (PubChem CID 139365544) has the molecular formula C17H15ClN6O and a molecular weight of 354.80 g/mol. Its IUPAC name is 4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound Name4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
PubChem CID139365544
Molecular FormulaC17H15ClN6O
Molecular Weight354.80 g/mol
Exact Mass354.10
IUPAC Name4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCOc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c1
InChIInChI=1S/C17H15ClN6O/c1-24-17(20-14-7-6-13-12(15(14)18)9-19-22-13)21-16(23-24)10-4-3-5-11(8-10)25-2/h3-9H,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyMXMIYRLGEDAQPF-UHFFFAOYSA-N
XLogP3.76
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide
CID 153329047
3-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]propanoic acid
CID 175049616
methyl 2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]acetate
CID 139366003
7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one
CID 153329058
1-[6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-1-one
CID 139348480
2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365751
2-[3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 139365738
N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine
CID 167157745
N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide
CID 139365795
methyl 3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]benzoate
CID 134284996
1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]butan-1-one
CID 159207842
2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 139481726

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The IUPAC name of 4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine (CID 139365544) is 4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for 4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The canonical SMILES for 4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine is COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c1.
What is the InChIKey of 4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The InChIKey is MXMIYRLGEDAQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O/c1-24-17(20-14-7-6-13-12(15(14)18)9-19-22-13)21-16(23-24)10-4-3-5-11(8-10)25-2/h3-9H,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of 4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine has a molecular weight of 354.80 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 139365544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).