1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine

C14H22N6O — CID 57194065

IUPAC1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine
SMILESC/N=C(\NC#N)NCCCOCc1ncc2n1CCCC2
InChIInChI=1S/C14H22N6O/c1-16-14(19-11-15)17-6-4-8-21-10-13-18-9-12-5-2-3-7-20(12)13/h9H,2-8,10H2,1H3,(H2,16,17,19)
InChIKeySORPRQMQYRKZNQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.77
Rot. Bonds6

About 1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine

1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine (PubChem CID 57194065) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine.

Molecular Properties

Compound Name1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine
PubChem CID57194065
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine
SMILESC/N=C(\NC#N)NCCCOCc1ncc2n1CCCC2
InChIInChI=1S/C14H22N6O/c1-16-14(19-11-15)17-6-4-8-21-10-13-18-9-12-5-2-3-7-20(12)13/h9H,2-8,10H2,1H3,(H2,16,17,19)
InChIKeySORPRQMQYRKZNQ-UHFFFAOYSA-N
XLogP0.77
TPSA87.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine?
The IUPAC name of 1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine (CID 57194065) is 1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine.
What is the SMILES notation for 1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine?
The canonical SMILES for 1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine is C/N=C(\NC#N)NCCCOCc1ncc2n1CCCC2.
What is the InChIKey of 1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine?
The InChIKey is SORPRQMQYRKZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-16-14(19-11-15)17-6-4-8-21-10-13-18-9-12-5-2-3-7-20(12)13/h9H,2-8,10H2,1H3,(H2,16,17,19).
What are the key properties of 1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine?
1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine has a molecular weight of 290.37 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-methyl-3-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethoxy)propyl]guanidine is sourced from PubChem (CID 57194065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).