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

C17H15ClFN7 — CID 139365514

IUPACN-[5-[4-(aminomethyl)-3-fluorophenyl]-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine
SMILESCn1nc(-c2ccc(CN)c(F)c2)nc1Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C17H15ClFN7/c1-26-17(22-14-5-4-13-11(15(14)18)8-21-24-13)23-16(25-26)9-2-3-10(7-20)12(19)6-9/h2-6,8H,7,20H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyWEKRPEYHNNQYOS-UHFFFAOYSA-N
MW371.81 g/mol
LogP3.35
Rot. Bonds4

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

N-[5-[4-(aminomethyl)-3-fluorophenyl]-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine (PubChem CID 139365514) has the molecular formula C17H15ClFN7 and a molecular weight of 371.81 g/mol. Its IUPAC name is N-[5-[4-(aminomethyl)-3-fluorophenyl]-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[5-[4-(aminomethyl)-3-fluorophenyl]-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine
PubChem CID139365514
Molecular FormulaC17H15ClFN7
Molecular Weight371.81 g/mol
Exact Mass371.11
IUPAC NameN-[5-[4-(aminomethyl)-3-fluorophenyl]-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine
SMILESCn1nc(-c2ccc(CN)c(F)c2)nc1Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C17H15ClFN7/c1-26-17(22-14-5-4-13-11(15(14)18)8-21-24-13)23-16(25-26)9-2-3-10(7-20)12(19)6-9/h2-6,8H,7,20H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyWEKRPEYHNNQYOS-UHFFFAOYSA-N
XLogP3.35
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.81
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(aminomethyl)-3-fluorophenyl]-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine?
The IUPAC name of N-[5-[4-(aminomethyl)-3-fluorophenyl]-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine (CID 139365514) is N-[5-[4-(aminomethyl)-3-fluorophenyl]-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine.
What is the SMILES notation for N-[5-[4-(aminomethyl)-3-fluorophenyl]-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine?
The canonical SMILES for N-[5-[4-(aminomethyl)-3-fluorophenyl]-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine is Cn1nc(-c2ccc(CN)c(F)c2)nc1Nc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of N-[5-[4-(aminomethyl)-3-fluorophenyl]-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine?
The InChIKey is WEKRPEYHNNQYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN7/c1-26-17(22-14-5-4-13-11(15(14)18)8-21-24-13)23-16(25-26)9-2-3-10(7-20)12(19)6-9/h2-6,8H,7,20H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[5-[4-(aminomethyl)-3-fluorophenyl]-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine?
N-[5-[4-(aminomethyl)-3-fluorophenyl]-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine has a molecular weight of 371.81 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(aminomethyl)-3-fluorophenyl]-2-methyl-1,2,4-triazol-3-yl]-4-chloro-1H-indazol-5-amine is sourced from PubChem (CID 139365514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).