2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine

C16H21N5 — CID 79972718

IUPAC2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine
SMILESCCn1nc(Cn2cnc(CCNC)c2)c2ccccc21
InChIInChI=1S/C16H21N5/c1-3-21-16-7-5-4-6-14(16)15(19-21)11-20-10-13(18-12-20)8-9-17-2/h4-7,10,12,17H,3,8-9,11H2,1-2H3
InChIKeyBVTNAKQPZFFVMW-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.06
Rot. Bonds6

About 2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine

2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine (PubChem CID 79972718) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine
PubChem CID79972718
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine
SMILESCCn1nc(Cn2cnc(CCNC)c2)c2ccccc21
InChIInChI=1S/C16H21N5/c1-3-21-16-7-5-4-6-14(16)15(19-21)11-20-10-13(18-12-20)8-9-17-2/h4-7,10,12,17H,3,8-9,11H2,1-2H3
InChIKeyBVTNAKQPZFFVMW-UHFFFAOYSA-N
XLogP2.06
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine (CID 79972718) is 2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine is CCn1nc(Cn2cnc(CCNC)c2)c2ccccc21.
What is the InChIKey of 2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine?
The InChIKey is BVTNAKQPZFFVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-3-21-16-7-5-4-6-14(16)15(19-21)11-20-10-13(18-12-20)8-9-17-2/h4-7,10,12,17H,3,8-9,11H2,1-2H3.
What are the key properties of 2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine?
2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine has a molecular weight of 283.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 79972718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).