3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C17H26N6 — CID 133478440

IUPAC3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC1CCCCN1CCCNc1nccn2c(C3CC3)nnc12
InChIInChI=1S/C17H26N6/c1-13-5-2-3-10-22(13)11-4-8-18-15-17-21-20-16(14-6-7-14)23(17)12-9-19-15/h9,12-14H,2-8,10-11H2,1H3,(H,18,19)
InChIKeyPZNHFRIZSUTWAP-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.68
Rot. Bonds6

About 3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 133478440) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID133478440
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC1CCCCN1CCCNc1nccn2c(C3CC3)nnc12
InChIInChI=1S/C17H26N6/c1-13-5-2-3-10-22(13)11-4-8-18-15-17-21-20-16(14-6-7-14)23(17)12-9-19-15/h9,12-14H,2-8,10-11H2,1H3,(H,18,19)
InChIKeyPZNHFRIZSUTWAP-UHFFFAOYSA-N
XLogP2.68
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 91651037
3-N,3-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazine-2,3-diamine
CID 135103231
5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine
CID 66340980
3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 112675563
1-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 26017163
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 79718768
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine
CID 92734456
3-cyclopropyl-N-(1-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133477972
N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 65271137
4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine
CID 115974404
N-cyclopropyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine
CID 106557493

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 133478440) is 3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CC1CCCCN1CCCNc1nccn2c(C3CC3)nnc12.
What is the InChIKey of 3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is PZNHFRIZSUTWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-13-5-2-3-10-22(13)11-4-8-18-15-17-21-20-16(14-6-7-14)23(17)12-9-19-15/h9,12-14H,2-8,10-11H2,1H3,(H,18,19).
What are the key properties of 3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 314.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 133478440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).