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

C12H14N6 — CID 107045487

IUPAC[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine
SMILESCn1nnc(Cn2cc(CN)c3ccccc32)n1
InChIInChI=1S/C12H14N6/c1-17-15-12(14-16-17)8-18-7-9(6-13)10-4-2-3-5-11(10)18/h2-5,7H,6,8,13H2,1H3
InChIKeyZCXSQWDQAPMGLQ-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.67
Rot. Bonds3

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

[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine (PubChem CID 107045487) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is [1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine
PubChem CID107045487
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine
SMILESCn1nnc(Cn2cc(CN)c3ccccc32)n1
InChIInChI=1S/C12H14N6/c1-17-15-12(14-16-17)8-18-7-9(6-13)10-4-2-3-5-11(10)18/h2-5,7H,6,8,13H2,1H3
InChIKeyZCXSQWDQAPMGLQ-UHFFFAOYSA-N
XLogP0.67
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine
CID 107053802
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid
CID 107043934
[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine
CID 66407495
2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine
CID 82871680
4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole
CID 107054442
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine
CID 66407719
[1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine
CID 112651068
[1-(3-methylbut-3-enyl)indol-3-yl]methanamine
CID 114477026
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine
CID 66407282
1-[(2-methyltetrazol-5-yl)methyl]indole-4-carbonitrile
CID 107919149
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanamine
CID 66409027
[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine
CID 66407065

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine?
The IUPAC name of [1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine (CID 107045487) is [1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine.
What is the SMILES notation for [1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine?
The canonical SMILES for [1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine is Cn1nnc(Cn2cc(CN)c3ccccc32)n1.
What is the InChIKey of [1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine?
The InChIKey is ZCXSQWDQAPMGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-17-15-12(14-16-17)8-18-7-9(6-13)10-4-2-3-5-11(10)18/h2-5,7H,6,8,13H2,1H3.
What are the key properties of [1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine?
[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine has a molecular weight of 242.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine is sourced from PubChem (CID 107045487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).