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

C14H25N5 — CID 64576853

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1N1CCn2cnnc2C1
InChIInChI=1S/C14H25N5/c1-2-7-15-12-5-3-4-6-13(12)18-8-9-19-11-16-17-14(19)10-18/h11-13,15H,2-10H2,1H3
InChIKeyNKBHVEGHSAXHHL-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.40
Rot. Bonds4

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine (PubChem CID 64576853) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine
PubChem CID64576853
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1N1CCn2cnnc2C1
InChIInChI=1S/C14H25N5/c1-2-7-15-12-5-3-4-6-13(12)18-8-9-19-11-16-17-14(19)10-18/h11-13,15H,2-10H2,1H3
InChIKeyNKBHVEGHSAXHHL-UHFFFAOYSA-N
XLogP1.40
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylcyclopentan-1-amine
CID 64574792
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64575162
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine
CID 64577881
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcyclopentan-1-amine
CID 64578664
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-ethylcyclohexan-1-amine
CID 64580410
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylcyclohexan-1-amine
CID 79938748
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79187934
N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine
CID 114537740
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 103494992
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]propan-1-amine
CID 64576603
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcycloheptan-1-amine
CID 79188611
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
CID 79188224

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine (CID 64576853) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine is CCCNC1CCCCC1N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine?
The InChIKey is NKBHVEGHSAXHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-2-7-15-12-5-3-4-6-13(12)18-8-9-19-11-16-17-14(19)10-18/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine has a molecular weight of 263.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64576853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).