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

C12H24N6 — CID 107056267

IUPAC7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane
SMILESCCCC1CN(Cc2nnn(C)n2)C(C)CCN1
InChIInChI=1S/C12H24N6/c1-4-5-11-8-18(10(2)6-7-13-11)9-12-14-16-17(3)15-12/h10-11,13H,4-9H2,1-3H3
InChIKeyLHCQOOLBGFYGHD-UHFFFAOYSA-N
MW252.37 g/mol
LogP0.56
Rot. Bonds4

About 7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane

7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane (PubChem CID 107056267) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane.

Molecular Properties

Compound Name7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane
PubChem CID107056267
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane
SMILESCCCC1CN(Cc2nnn(C)n2)C(C)CCN1
InChIInChI=1S/C12H24N6/c1-4-5-11-8-18(10(2)6-7-13-11)9-12-14-16-17(3)15-12/h10-11,13H,4-9H2,1-3H3
InChIKeyLHCQOOLBGFYGHD-UHFFFAOYSA-N
XLogP0.56
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-7-methyl-3-propyl-1,4-diazepane
CID 64870790
1-benzyl-7-methyl-3-propyl-1,4-diazepane
CID 64869815
7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane
CID 64871391
1-[(2,6-difluorophenyl)methyl]-7-methyl-3-propyl-1,4-diazepane
CID 114934653
3-ethyl-3,7-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056288
7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64870012
1-[(5-fluoro-2-methylphenyl)methyl]-7-methyl-3-propyl-1,4-diazepane
CID 105375765
1-[(3-bromo-4-fluorophenyl)methyl]-7-methyl-3-propyl-1,4-diazepane
CID 64869413
5,5-diethyl-1-[(2-methyltetrazol-5-yl)methyl]-2-propylpiperazine
CID 107056053
9-methyl-10-[(2-methyltetrazol-5-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 107056270
2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
CID 107045229
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056207

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane?
The IUPAC name of 7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane (CID 107056267) is 7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane.
What is the SMILES notation for 7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane?
The canonical SMILES for 7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane is CCCC1CN(Cc2nnn(C)n2)C(C)CCN1.
What is the InChIKey of 7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane?
The InChIKey is LHCQOOLBGFYGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-4-5-11-8-18(10(2)6-7-13-11)9-12-14-16-17(3)15-12/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane?
7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane has a molecular weight of 252.37 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane is sourced from PubChem (CID 107056267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).