3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane

C9H18N6 — CID 107056207

IUPAC3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
SMILESCC1CN(Cc2nnn(C)n2)CCCN1
InChIInChI=1S/C9H18N6/c1-8-6-15(5-3-4-10-8)7-9-11-13-14(2)12-9/h8,10H,3-7H2,1-2H3
InChIKeyHEDWFXZXMPORJS-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.61
Rot. Bonds2

About 3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane

3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane (PubChem CID 107056207) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
PubChem CID107056207
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
SMILESCC1CN(Cc2nnn(C)n2)CCCN1
InChIInChI=1S/C9H18N6/c1-8-6-15(5-3-4-10-8)7-9-11-13-14(2)12-9/h8,10H,3-7H2,1-2H3
InChIKeyHEDWFXZXMPORJS-UHFFFAOYSA-N
XLogP-0.61
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-[(2-methyltetrazol-5-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

3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazepane
CID 107056206
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepan-2-one
CID 107052712
1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile
CID 107042907
4-bromo-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidine
CID 107054238
3-(2-methylpropyl)-1-[(2-methyltetrazol-5-yl)methyl]piperazine
CID 107055316
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-2-methyltetrazole
CID 107054129
N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 107043401
2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
CID 107045229
3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043040
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 107045335
1-[(4-iodophenyl)methyl]-3-methyl-1,4-diazepane
CID 65491766
2-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetic acid
CID 107044977

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane?
The IUPAC name of 3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane (CID 107056207) is 3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane.
What is the SMILES notation for 3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane?
The canonical SMILES for 3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane is CC1CN(Cc2nnn(C)n2)CCCN1.
What is the InChIKey of 3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane?
The InChIKey is HEDWFXZXMPORJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-8-6-15(5-3-4-10-8)7-9-11-13-14(2)12-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane?
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane has a molecular weight of 210.28 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane is sourced from PubChem (CID 107056207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).