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

C13H23N5 — CID 64574965

IUPACN-[1-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCn2cnnc2C1)C1CC1
InChIInChI=1S/C13H23N5/c1-2-5-14-12(11-3-4-11)8-17-6-7-18-10-15-16-13(18)9-17/h10-12,14H,2-9H2,1H3
InChIKeyLAGZOHPDWXBWTQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.87
Rot. Bonds6

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

N-[1-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine (PubChem CID 64574965) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
PubChem CID64574965
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[1-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCn2cnnc2C1)C1CC1
InChIInChI=1S/C13H23N5/c1-2-5-14-12(11-3-4-11)8-17-6-7-18-10-15-16-13(18)9-17/h10-12,14H,2-9H2,1H3
InChIKeyLAGZOHPDWXBWTQ-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 25658249
8-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 66846312
3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987769
3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987852
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 79605567
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
1-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethan-1-amine
CID 71695363
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine (CID 64574965) is N-[1-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine is CCCNC(CN1CCn2cnnc2C1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine?
The InChIKey is LAGZOHPDWXBWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-5-14-12(11-3-4-11)8-17-6-7-18-10-15-16-13(18)9-17/h10-12,14H,2-9H2,1H3.
What are the key properties of N-[1-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine is sourced from PubChem (CID 64574965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).