2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine

C13H16N6 — CID 107053802

IUPAC2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine
SMILESCn1nnc(Cn2cc(CCN)c3ccccc32)n1
InChIInChI=1S/C13H16N6/c1-18-16-13(15-17-18)9-19-8-10(6-7-14)11-4-2-3-5-12(11)19/h2-5,8H,6-7,9,14H2,1H3
InChIKeyPYMFLSHVNWQARG-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.71
Rot. Bonds4

About 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine

2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine (PubChem CID 107053802) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine
PubChem CID107053802
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine
SMILESCn1nnc(Cn2cc(CCN)c3ccccc32)n1
InChIInChI=1S/C13H16N6/c1-18-16-13(15-17-18)9-19-8-10(6-7-14)11-4-2-3-5-12(11)19/h2-5,8H,6-7,9,14H2,1H3
InChIKeyPYMFLSHVNWQARG-UHFFFAOYSA-N
XLogP0.71
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine
CID 107045487
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid
CID 107043934
2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine
CID 82871680
2-[1-(3-methylsulfanylpropyl)indol-3-yl]ethanamine
CID 113474367
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine
CID 103015036
2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide
CID 63156515
2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine
CID 112644320
2-(1-prop-2-enylindol-3-yl)ethanamine
CID 10375539
2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
CID 63156675
2-[1-(2-ethylbutyl)indol-3-yl]ethanamine
CID 82925282

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine?
The IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine (CID 107053802) is 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine is Cn1nnc(Cn2cc(CCN)c3ccccc32)n1.
What is the InChIKey of 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine?
The InChIKey is PYMFLSHVNWQARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-18-16-13(15-17-18)9-19-8-10(6-7-14)11-4-2-3-5-12(11)19/h2-5,8H,6-7,9,14H2,1H3.
What are the key properties of 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine?
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine has a molecular weight of 256.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine is sourced from PubChem (CID 107053802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).