1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine

C16H21N5 — CID 107053885

IUPAC1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2ccn(Cc3cn(C)nn3)c2c1
InChIInChI=1S/C16H21N5/c1-3-14(17)8-12-4-5-13-6-7-21(16(13)9-12)11-15-10-20(2)19-18-15/h4-7,9-10,14H,3,8,11,17H2,1-2H3
InChIKeyXBLSNFASOBWRJA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.10
Rot. Bonds5

About 1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine

1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine (PubChem CID 107053885) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine
PubChem CID107053885
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2ccn(Cc3cn(C)nn3)c2c1
InChIInChI=1S/C16H21N5/c1-3-14(17)8-12-4-5-13-6-7-21(16(13)9-12)11-15-10-20(2)19-18-15/h4-7,9-10,14H,3,8,11,17H2,1-2H3
InChIKeyXBLSNFASOBWRJA-UHFFFAOYSA-N
XLogP2.10
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine
CID 107053881
1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine
CID 102918008
1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
CID 102917961
1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine
CID 102917956
1-[1-(2-propoxyethyl)indol-6-yl]butan-2-amine
CID 106457583
1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine
CID 102917957
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]indol-5-yl]methanamine
CID 107045620
1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine
CID 102917962
1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048388
7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole
CID 107054395
1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine
CID 106457576
1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine
CID 102917946

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine?
The IUPAC name of 1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine (CID 107053885) is 1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine is CCC(N)Cc1ccc2ccn(Cc3cn(C)nn3)c2c1.
What is the InChIKey of 1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine?
The InChIKey is XBLSNFASOBWRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-3-14(17)8-12-4-5-13-6-7-21(16(13)9-12)11-15-10-20(2)19-18-15/h4-7,9-10,14H,3,8,11,17H2,1-2H3.
What are the key properties of 1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine?
1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine has a molecular weight of 283.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine is sourced from PubChem (CID 107053885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).