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

C13H25N5 — CID 64579463

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)N1CCn2cnnc2C1
InChIInChI=1S/C13H25N5/c1-11(2)8-14-5-4-12(3)17-6-7-18-10-15-16-13(18)9-17/h10-12,14H,4-9H2,1-3H3
InChIKeyKHCWXVQWDTZWRT-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.12
Rot. Bonds6

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

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 64579463) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID64579463
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)N1CCn2cnnc2C1
InChIInChI=1S/C13H25N5/c1-11(2)8-14-5-4-12(3)17-6-7-18-10-15-16-13(18)9-17/h10-12,14H,4-9H2,1-3H3
InChIKeyKHCWXVQWDTZWRT-UHFFFAOYSA-N
XLogP1.12
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.12
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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Related Compounds

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylbutan-1-amine
CID 64580237
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropan-1-amine
CID 64580033
N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentyl]cyclopropanamine
CID 64579846
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pentan-3-amine
CID 64579660
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 64578513
N-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425336
N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557018
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64579644
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-2-phenylethanamine
CID 64579466
N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074066
7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 167201938
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylhexan-1-amine
CID 64576273

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine (CID 64579463) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)N1CCn2cnnc2C1.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is KHCWXVQWDTZWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-11(2)8-14-5-4-12(3)17-6-7-18-10-15-16-13(18)9-17/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 64579463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).