1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

C12H13N5 — CID 62325597

IUPAC1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1ccc2c(CNCc3ncn[nH]3)c[nH]c2c1
InChIInChI=1S/C12H13N5/c1-2-4-11-10(3-1)9(6-14-11)5-13-7-12-15-8-16-17-12/h1-4,6,8,13-14H,5,7H2,(H,15,16,17)
InChIKeyBTUWWEIYGMIENQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.58
Rot. Bonds4

About 1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (PubChem CID 62325597) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
PubChem CID62325597
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1ccc2c(CNCc3ncn[nH]3)c[nH]c2c1
InChIInChI=1S/C12H13N5/c1-2-4-11-10(3-1)9(6-14-11)5-13-7-12-15-8-16-17-12/h1-4,6,8,13-14H,5,7H2,(H,15,16,17)
InChIKeyBTUWWEIYGMIENQ-UHFFFAOYSA-N
XLogP1.58
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60983559
(1H-indol-3-ylmethylamino)methanol
CID 115228988
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625
N-(naphthalen-1-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64545959
(1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 104911666
2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716224
1H-indol-3-ylmethylcyanamide
CID 145401688
N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
CID 60663580
N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 70211742
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 106391408

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (CID 62325597) is 1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is c1ccc2c(CNCc3ncn[nH]3)c[nH]c2c1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The InChIKey is BTUWWEIYGMIENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-2-4-11-10(3-1)9(6-14-11)5-13-7-12-15-8-16-17-12/h1-4,6,8,13-14H,5,7H2,(H,15,16,17).
What are the key properties of 1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine has a molecular weight of 227.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is sourced from PubChem (CID 62325597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).