N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine

C10H17N5 — CID 64580628

IUPACN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCn2cnnc2C1
InChIInChI=1S/C10H17N5/c1-2-3-11-4-5-14-6-7-15-9-12-13-10(15)8-14/h2,9,11H,1,3-8H2
InChIKeyFPAUAIJMQBRVPW-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.13
Rot. Bonds5

About N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine

N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine (PubChem CID 64580628) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine
PubChem CID64580628
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC NameN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCn2cnnc2C1
InChIInChI=1S/C10H17N5/c1-2-3-11-4-5-14-6-7-15-9-12-13-10(15)8-14/h2,9,11H,1,3-8H2
InChIKeyFPAUAIJMQBRVPW-UHFFFAOYSA-N
XLogP-0.13
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 64576603
N-(cyclopropylmethyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
CID 64577734
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine
CID 64576410
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylpentan-1-amine
CID 64579271
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline
CID 64579858
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methoxyethyl)butan-1-amine
CID 64579080
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 64580821
7-(5-chloropentyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64578046
N-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]prop-2-en-1-amine
CID 64578692
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-methylaniline
CID 64580438
N-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]cyclopropanamine
CID 64577174
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methoxyethyl)propan-1-amine
CID 64576117

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine (CID 64580628) is N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine is C=CCNCCN1CCn2cnnc2C1.
What is the InChIKey of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine?
The InChIKey is FPAUAIJMQBRVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-2-3-11-4-5-14-6-7-15-9-12-13-10(15)8-14/h2,9,11H,1,3-8H2.
What are the key properties of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine?
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine has a molecular weight of 207.28 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 64580628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).