N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine

C14H17N5 — CID 107045620

IUPACN-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine
SMILESCNCc1ccc2c(ccn2Cc2cn(C)nn2)c1
InChIInChI=1S/C14H17N5/c1-15-8-11-3-4-14-12(7-11)5-6-19(14)10-13-9-18(2)17-16-13/h3-7,9,15H,8,10H2,1-2H3
InChIKeyJIQHCKPPVUVODR-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.54
Rot. Bonds4

About N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine

N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine (PubChem CID 107045620) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine
PubChem CID107045620
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC NameN-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine
SMILESCNCc1ccc2c(ccn2Cc2cn(C)nn2)c1
InChIInChI=1S/C14H17N5/c1-15-8-11-3-4-14-12(7-11)5-6-19(14)10-13-9-18(2)17-16-13/h3-7,9,15H,8,10H2,1-2H3
InChIKeyJIQHCKPPVUVODR-UHFFFAOYSA-N
XLogP1.54
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine (CID 107045620) is N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine is CNCc1ccc2c(ccn2Cc2cn(C)nn2)c1.
What is the InChIKey of N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine?
The InChIKey is JIQHCKPPVUVODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-15-8-11-3-4-14-12(7-11)5-6-19(14)10-13-9-18(2)17-16-13/h3-7,9,15H,8,10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine?
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine has a molecular weight of 255.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine is sourced from PubChem (CID 107045620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).