N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine

C13H23N5 — CID 64579846

IUPACN-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine
SMILESCC(CCCNC1CC1)N1CCn2cnnc2C1
InChIInChI=1S/C13H23N5/c1-11(3-2-6-14-12-4-5-12)17-7-8-18-10-15-16-13(18)9-17/h10-12,14H,2-9H2,1H3
InChIKeyOCODBNQMMZLOQT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.01
Rot. Bonds6

About N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine

N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine (PubChem CID 64579846) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine
PubChem CID64579846
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine
SMILESCC(CCCNC1CC1)N1CCn2cnnc2C1
InChIInChI=1S/C13H23N5/c1-11(3-2-6-14-12-4-5-12)17-7-8-18-10-15-16-13(18)9-17/h10-12,14H,2-9H2,1H3
InChIKeyOCODBNQMMZLOQT-UHFFFAOYSA-N
XLogP1.01
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine (CID 64579846) is N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine is CC(CCCNC1CC1)N1CCn2cnnc2C1.
What is the InChIKey of N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine?
The InChIKey is OCODBNQMMZLOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11(3-2-6-14-12-4-5-12)17-7-8-18-10-15-16-13(18)9-17/h10-12,14H,2-9H2,1H3.
What are the key properties of N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine?
N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 64579846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).