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

C10H19N5 — CID 107056206

IUPAC3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
SMILESCC1CN(Cc2cn(C)nn2)CCCN1
InChIInChI=1S/C10H19N5/c1-9-6-15(5-3-4-11-9)8-10-7-14(2)13-12-10/h7,9,11H,3-6,8H2,1-2H3
InChIKeyPZYIONFXHJCRRA-UHFFFAOYSA-N
MW209.30 g/mol
LogP-0.00
Rot. Bonds2

About 3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane

3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane (PubChem CID 107056206) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
PubChem CID107056206
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
SMILESCC1CN(Cc2cn(C)nn2)CCCN1
InChIInChI=1S/C10H19N5/c1-9-6-15(5-3-4-11-9)8-10-7-14(2)13-12-10/h7,9,11H,3-6,8H2,1-2H3
InChIKeyPZYIONFXHJCRRA-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

Analyze 3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885940
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056207
1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 65215067
(3S)-1-[(1-tert-butyltriazol-4-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845822
3-methyl-1-[(1-phenyltriazol-4-yl)methyl]piperazine
CID 119924639
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64948769
2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055406
4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole
CID 131101712
4-bromo-1-[(1-methyltriazol-4-yl)methyl]azepane
CID 130678061
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104869160
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 107043593

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane?
The IUPAC name of 3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane (CID 107056206) is 3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane.
What is the SMILES notation for 3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane?
The canonical SMILES for 3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane is CC1CN(Cc2cn(C)nn2)CCCN1.
What is the InChIKey of 3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane?
The InChIKey is PZYIONFXHJCRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-9-6-15(5-3-4-11-9)8-10-7-14(2)13-12-10/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of 3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane?
3-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 3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane is sourced from PubChem (CID 107056206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).