1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane

C17H28N8 — CID 154740405

IUPAC1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane
SMILESCCn1ccnc1CN1CCCN(C(C)c2nnnn2C2CC2)CC1
InChIInChI=1S/C17H28N8/c1-3-23-10-7-18-16(23)13-22-8-4-9-24(12-11-22)14(2)17-19-20-21-25(17)15-5-6-15/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3
InChIKeyUAIORUQQIRPIHP-UHFFFAOYSA-N
MW344.47 g/mol
LogP1.49
Rot. Bonds6

About 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane

1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane (PubChem CID 154740405) has the molecular formula C17H28N8 and a molecular weight of 344.47 g/mol. Its IUPAC name is 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane
PubChem CID154740405
Molecular FormulaC17H28N8
Molecular Weight344.47 g/mol
Exact Mass344.24
IUPAC Name1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane
SMILESCCn1ccnc1CN1CCCN(C(C)c2nnnn2C2CC2)CC1
InChIInChI=1S/C17H28N8/c1-3-23-10-7-18-16(23)13-22-8-4-9-24(12-11-22)14(2)17-19-20-21-25(17)15-5-6-15/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3
InChIKeyUAIORUQQIRPIHP-UHFFFAOYSA-N
XLogP1.49
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane with MolForge

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Related Compounds

1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 124623662
(2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95280328
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
(R)-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 95128111
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
N-cyclohexyl-2-[4-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperazin-1-yl]-N-methylacetamide
CID 129401911
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
CID 62735695
(2R)-1-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 95325276
(1-methylimidazol-2-yl)-[1-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 75390782
1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
N-[[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63848659

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane?
The IUPAC name of 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane (CID 154740405) is 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane.
What is the SMILES notation for 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane?
The canonical SMILES for 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane is CCn1ccnc1CN1CCCN(C(C)c2nnnn2C2CC2)CC1.
What is the InChIKey of 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane?
The InChIKey is UAIORUQQIRPIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N8/c1-3-23-10-7-18-16(23)13-22-8-4-9-24(12-11-22)14(2)17-19-20-21-25(17)15-5-6-15/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3.
What are the key properties of 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane?
1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane has a molecular weight of 344.47 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepane is sourced from PubChem (CID 154740405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).