6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C21H21ClN6 — CID 166239576

IUPAC6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESClc1ccc2[nH]c3c(c2c1)CC(NCc1cn(Cc2cccnc2)nn1)CC3
InChIInChI=1S/C21H21ClN6/c22-15-3-5-20-18(8-15)19-9-16(4-6-21(19)25-20)24-11-17-13-28(27-26-17)12-14-2-1-7-23-10-14/h1-3,5,7-8,10,13,16,24-25H,4,6,9,11-12H2
InChIKeyHIYFDRYBUJRRLZ-UHFFFAOYSA-N
MW392.89 g/mol
LogP3.50
Rot. Bonds5

About 6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine

6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 166239576) has the molecular formula C21H21ClN6 and a molecular weight of 392.89 g/mol. Its IUPAC name is 6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound Name6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID166239576
Molecular FormulaC21H21ClN6
Molecular Weight392.89 g/mol
Exact Mass392.15
IUPAC Name6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESClc1ccc2[nH]c3c(c2c1)CC(NCc1cn(Cc2cccnc2)nn1)CC3
InChIInChI=1S/C21H21ClN6/c22-15-3-5-20-18(8-15)19-9-16(4-6-21(19)25-20)24-11-17-13-28(27-26-17)12-14-2-1-7-23-10-14/h1-3,5,7-8,10,13,16,24-25H,4,6,9,11-12H2
InChIKeyHIYFDRYBUJRRLZ-UHFFFAOYSA-N
XLogP3.50
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide
CID 113096983
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194729
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine
CID 129003334
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine
CID 99795955
2-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 117014262
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine
CID 69235228
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide
CID 113097011
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
2-benzyl-7-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[3,4-b]indole
CID 58159479
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193225

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of 6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 166239576) is 6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for 6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for 6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine is Clc1ccc2[nH]c3c(c2c1)CC(NCc1cn(Cc2cccnc2)nn1)CC3.
What is the InChIKey of 6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is HIYFDRYBUJRRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6/c22-15-3-5-20-18(8-15)19-9-16(4-6-21(19)25-20)24-11-17-13-28(27-26-17)12-14-2-1-7-23-10-14/h1-3,5,7-8,10,13,16,24-25H,4,6,9,11-12H2.
What are the key properties of 6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 392.89 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 166239576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).