(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine

C12H14N6 — CID 103128231

IUPAC(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1nn(C)c2ccccc12
InChIInChI=1S/C12H14N6/c1-17-9-6-4-3-5-8(9)12(15-17)11(13)10-7-14-16-18(10)2/h3-7,11H,13H2,1-2H3
InChIKeyKTJKSTDEINATTP-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.75
Rot. Bonds2

About (1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine

(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine (PubChem CID 103128231) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is (1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine
PubChem CID103128231
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)c1nn(C)c2ccccc12
InChIInChI=1S/C12H14N6/c1-17-9-6-4-3-5-8(9)12(15-17)11(13)10-7-14-16-18(10)2/h3-7,11H,13H2,1-2H3
InChIKeyKTJKSTDEINATTP-UHFFFAOYSA-N
XLogP0.75
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-methylindazol-3-yl)-(3-methyltriazol-4-yl)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

(2-chlorophenyl)-(1-methylindazol-3-yl)methanamine
CID 103126271
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
(2,3-difluoro-4-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 107516114
(1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine
CID 103126377
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
3-(difluoromethyl)-1-methylindazole
CID 153487584
N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 103128167
(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 103443748
(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 103127012
1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine
CID 103128236
(2,6-difluoro-3-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 103127986

Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of (1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine (CID 103128231) is (1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for (1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine is Cn1nncc1C(N)c1nn(C)c2ccccc12.
What is the InChIKey of (1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine?
The InChIKey is KTJKSTDEINATTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-17-9-6-4-3-5-8(9)12(15-17)11(13)10-7-14-16-18(10)2/h3-7,11H,13H2,1-2H3.
What are the key properties of (1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine?
(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine has a molecular weight of 242.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 103128231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).