5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine

C15H18N6 — CID 79537391

IUPAC5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine
SMILESCCn1nc(Cn2nnc(N)c2C2CC2)c2ccccc21
InChIInChI=1S/C15H18N6/c1-2-20-13-6-4-3-5-11(13)12(18-20)9-21-14(10-7-8-10)15(16)17-19-21/h3-6,10H,2,7-9,16H2,1H3
InChIKeyOANXHRRDRWOSBQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.16
Rot. Bonds4

About 5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine

5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine (PubChem CID 79537391) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine
PubChem CID79537391
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine
SMILESCCn1nc(Cn2nnc(N)c2C2CC2)c2ccccc21
InChIInChI=1S/C15H18N6/c1-2-20-13-6-4-3-5-11(13)12(18-20)9-21-14(10-7-8-10)15(16)17-19-21/h3-6,10H,2,7-9,16H2,1H3
InChIKeyOANXHRRDRWOSBQ-UHFFFAOYSA-N
XLogP2.16
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine (CID 79537391) is 5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine is CCn1nc(Cn2nnc(N)c2C2CC2)c2ccccc21.
What is the InChIKey of 5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine?
The InChIKey is OANXHRRDRWOSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-2-20-13-6-4-3-5-11(13)12(18-20)9-21-14(10-7-8-10)15(16)17-19-21/h3-6,10H,2,7-9,16H2,1H3.
What are the key properties of 5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine?
5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79537391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).