7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane

C10H19N5 — CID 107056261

IUPAC7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
SMILESCC1CCNCCN1Cc1cn(C)nn1
InChIInChI=1S/C10H19N5/c1-9-3-4-11-5-6-15(9)8-10-7-14(2)13-12-10/h7,9,11H,3-6,8H2,1-2H3
InChIKeyJJGQRGDCHGEYAB-UHFFFAOYSA-N
MW209.30 g/mol
LogP-0.00
Rot. Bonds2

About 7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane

7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane (PubChem CID 107056261) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
PubChem CID107056261
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
SMILESCC1CCNCCN1Cc1cn(C)nn1
InChIInChI=1S/C10H19N5/c1-9-3-4-11-5-6-15(9)8-10-7-14(2)13-12-10/h7,9,11H,3-6,8H2,1-2H3
InChIKeyJJGQRGDCHGEYAB-UHFFFAOYSA-N
XLogP-0.00
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 104869459
1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 65215067
3-tert-butyl-7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056275
6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289439
1-benzyl-7-methyl-1,4-diazepane
CID 56828058
[(2R)-1-[(1-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 103866930
(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885940
1-[(4-fluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 64869395
1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane
CID 64870777
3-chloro-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidine
CID 131111205
3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056206

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane?
The IUPAC name of 7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane (CID 107056261) is 7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane.
What is the SMILES notation for 7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane?
The canonical SMILES for 7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane is CC1CCNCCN1Cc1cn(C)nn1.
What is the InChIKey of 7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane?
The InChIKey is JJGQRGDCHGEYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-9-3-4-11-5-6-15(9)8-10-7-14(2)13-12-10/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of 7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane?
7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane has a molecular weight of 209.30 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane is sourced from PubChem (CID 107056261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).