1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine

C12H13N5 — CID 112742614

IUPAC1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine
SMILESCn1ncc(C(N)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C12H13N5/c1-17-15-7-11(16-17)12(13)9-6-14-10-5-3-2-4-8(9)10/h2-7,12,14H,13H2,1H3
InChIKeyBBLNENJMTLDMQU-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.34
Rot. Bonds2

About 1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine

1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine (PubChem CID 112742614) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine
PubChem CID112742614
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine
SMILESCn1ncc(C(N)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C12H13N5/c1-17-15-7-11(16-17)12(13)9-6-14-10-5-3-2-4-8(9)10/h2-7,12,14H,13H2,1H3
InChIKeyBBLNENJMTLDMQU-UHFFFAOYSA-N
XLogP1.34
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-1H-indole
CID 12534824
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
3-[imidazol-1-yl-(1-methylpyrazol-4-yl)methyl]-1H-indole
CID 110453762
3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole
CID 71444035
1-(1H-indol-3-yl)-2-pyridin-3-ylethanamine
CID 130286276
1-(1H-indol-3-yl)prop-2-en-1-amine
CID 55294436
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
CID 42553559
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
CID 175028483
3-[1H-indol-3-yl-(5-methyl-2-pyridinyl)methyl]-1H-indole
CID 154926412
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine?
The IUPAC name of 1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine (CID 112742614) is 1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine.
What is the SMILES notation for 1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine?
The canonical SMILES for 1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine is Cn1ncc(C(N)c2c[nH]c3ccccc23)n1.
What is the InChIKey of 1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine?
The InChIKey is BBLNENJMTLDMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-17-15-7-11(16-17)12(13)9-6-14-10-5-3-2-4-8(9)10/h2-7,12,14H,13H2,1H3.
What are the key properties of 1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine?
1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine has a molecular weight of 227.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 112742614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).