5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine

C20H20N6 — CID 68738536

IUPAC5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine
SMILESc1ccc(Cn2cc(-c3ccc4[nH]nc(NCC5CC5)c4c3)nn2)cc1
InChIInChI=1S/C20H20N6/c1-2-4-15(5-3-1)12-26-13-19(23-25-26)16-8-9-18-17(10-16)20(24-22-18)21-11-14-6-7-14/h1-5,8-10,13-14H,6-7,11-12H2,(H2,21,22,24)
InChIKeyQCKDWBIMAAPBGC-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.69
Rot. Bonds6

About 5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine

5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine (PubChem CID 68738536) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine
PubChem CID68738536
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine
SMILESc1ccc(Cn2cc(-c3ccc4[nH]nc(NCC5CC5)c4c3)nn2)cc1
InChIInChI=1S/C20H20N6/c1-2-4-15(5-3-1)12-26-13-19(23-25-26)16-8-9-18-17(10-16)20(24-22-18)21-11-14-6-7-14/h1-5,8-10,13-14H,6-7,11-12H2,(H2,21,22,24)
InChIKeyQCKDWBIMAAPBGC-UHFFFAOYSA-N
XLogP3.69
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine?
The IUPAC name of 5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine (CID 68738536) is 5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine.
What is the SMILES notation for 5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine?
The canonical SMILES for 5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine is c1ccc(Cn2cc(-c3ccc4[nH]nc(NCC5CC5)c4c3)nn2)cc1.
What is the InChIKey of 5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine?
The InChIKey is QCKDWBIMAAPBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-2-4-15(5-3-1)12-26-13-19(23-25-26)16-8-9-18-17(10-16)20(24-22-18)21-11-14-6-7-14/h1-5,8-10,13-14H,6-7,11-12H2,(H2,21,22,24).
What are the key properties of 5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine?
5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine has a molecular weight of 344.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltriazol-4-yl)-N-(cyclopropylmethyl)-1H-indazol-3-amine is sourced from PubChem (CID 68738536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).