3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C26H41N9 — CID 159697144

IUPAC3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILES[N-]=[N+]=Nc1ncc2n1CCN(CC1CCCCC1)C2.c1ncn2c1CN(CC1CCCCC1)CC2
InChIInChI=1S/C13H20N6.C13H21N3/c14-17-16-13-15-8-12-10-18(6-7-19(12)13)9-11-4-2-1-3-5-11;1-2-4-12(5-3-1)9-15-6-7-16-11-14-8-13(16)10-15/h8,11H,1-7,9-10H2;8,11-12H,1-7,9-10H2
InChIKeyMXDPQMRODLGMSZ-UHFFFAOYSA-N
MW479.68 g/mol
LogP5.50
Rot. Bonds5

About 3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 159697144) has the molecular formula C26H41N9 and a molecular weight of 479.68 g/mol. Its IUPAC name is 3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID159697144
Molecular FormulaC26H41N9
Molecular Weight479.68 g/mol
Exact Mass479.35
IUPAC Name3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILES[N-]=[N+]=Nc1ncc2n1CCN(CC1CCCCC1)C2.c1ncn2c1CN(CC1CCCCC1)CC2
InChIInChI=1S/C13H20N6.C13H21N3/c14-17-16-13-15-8-12-10-18(6-7-19(12)13)9-11-4-2-1-3-5-11;1-2-4-12(5-3-1)9-15-6-7-16-11-14-8-13(16)10-15/h8,11H,1-7,9-10H2;8,11-12H,1-7,9-10H2
InChIKeyMXDPQMRODLGMSZ-UHFFFAOYSA-N
XLogP5.50
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.68
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 159697144) is 3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is [N-]=[N+]=Nc1ncc2n1CCN(CC1CCCCC1)C2.c1ncn2c1CN(CC1CCCCC1)CC2.
What is the InChIKey of 3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is MXDPQMRODLGMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6.C13H21N3/c14-17-16-13-15-8-12-10-18(6-7-19(12)13)9-11-4-2-1-3-5-11;1-2-4-12(5-3-1)9-15-6-7-16-11-14-8-13(16)10-15/h8,11H,1-7,9-10H2;8,11-12H,1-7,9-10H2.
What are the key properties of 3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 479.68 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 159697144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).