N,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine

C16H21N5 — CID 10016692

IUPACN,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Cc3ncn(C)n3)cc12
InChIInChI=1S/C16H21N5/c1-20(2)7-6-13-10-17-15-5-4-12(8-14(13)15)9-16-18-11-21(3)19-16/h4-5,8,10-11,17H,6-7,9H2,1-3H3
InChIKeyVRVUZPDUWIVKCG-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.99
Rot. Bonds5

About N,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine

N,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine (PubChem CID 10016692) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine
PubChem CID10016692
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Cc3ncn(C)n3)cc12
InChIInChI=1S/C16H21N5/c1-20(2)7-6-13-10-17-15-5-4-12(8-14(13)15)9-16-18-11-21(3)19-16/h4-5,8,10-11,17H,6-7,9H2,1-3H3
InChIKeyVRVUZPDUWIVKCG-UHFFFAOYSA-N
XLogP1.99
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine (CID 10016692) is N,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine is CN(C)CCc1c[nH]c2ccc(Cc3ncn(C)n3)cc12.
What is the InChIKey of N,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine?
The InChIKey is VRVUZPDUWIVKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-20(2)7-6-13-10-17-15-5-4-12(8-14(13)15)9-16-18-11-21(3)19-16/h4-5,8,10-11,17H,6-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine has a molecular weight of 283.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10016692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).