N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine

C15H13Cl2N7 — CID 170426549

IUPACN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine
SMILESCn1cnnc1NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C15H13Cl2N7/c1-24-7-21-23-15(24)18-6-11-12(8-4-19-20-5-8)9-2-3-10(16)13(17)14(9)22-11/h2-5,7,22H,6H2,1H3,(H,18,23)(H,19,20)
InChIKeyBIZLZRQCEIWHBN-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.61
Rot. Bonds4

About N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine

N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine (PubChem CID 170426549) has the molecular formula C15H13Cl2N7 and a molecular weight of 362.22 g/mol. Its IUPAC name is N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine
PubChem CID170426549
Molecular FormulaC15H13Cl2N7
Molecular Weight362.22 g/mol
Exact Mass361.06
IUPAC NameN-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine
SMILESCn1cnnc1NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C15H13Cl2N7/c1-24-7-21-23-15(24)18-6-11-12(8-4-19-20-5-8)9-2-3-10(16)13(17)14(9)22-11/h2-5,7,22H,6H2,1H3,(H,18,23)(H,19,20)
InChIKeyBIZLZRQCEIWHBN-UHFFFAOYSA-N
XLogP3.61
TPSA87.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168272821
3-[[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-6-fluoro-1H-indole
CID 168275406
3-[2-[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 56945132
3-[2-[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1-methylindole
CID 142471737
4-[3-[(3,4-dichlorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-4-yl]butan-1-amine
CID 168283125
3-[2-[4-[(3,4-dichlorophenyl)methyl]-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 155519582
3-[2-[3-[(3,4-dichlorophenyl)methyl]-5-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-4-yl]ethyl]-1H-indole
CID 155555535
3-[3-[(3,4-dichlorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-4-yl]propan-1-amine
CID 155557409
5-[3-[(3,4-dichlorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-4-yl]pentan-1-amine
CID 168280615
US20230391786, Example 328
CID 170426577
6-Chloro-3-(1H-pyrazol-4-yl)-1-(1H-triazol-4-yl)indole
CID 170426783
6,7-Dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole
CID 170426855

Frequently Asked Questions

What is the IUPAC name of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine?
The IUPAC name of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine (CID 170426549) is N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine is Cn1cnnc1NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1.
What is the InChIKey of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine?
The InChIKey is BIZLZRQCEIWHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N7/c1-24-7-21-23-15(24)18-6-11-12(8-4-19-20-5-8)9-2-3-10(16)13(17)14(9)22-11/h2-5,7,22H,6H2,1H3,(H,18,23)(H,19,20).
What are the key properties of N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine?
N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine has a molecular weight of 362.22 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-4-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 170426549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).