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

C16H29N5 — CID 64577881

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1CN1CCn2cnnc2C1
InChIInChI=1S/C16H29N5/c1-2-8-17-15-7-5-3-4-6-14(15)11-20-9-10-21-13-18-19-16(21)12-20/h13-15,17H,2-12H2,1H3
InChIKeyNSGWDAVMFJXJAV-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.04
Rot. Bonds5

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine (PubChem CID 64577881) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine
PubChem CID64577881
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1CN1CCn2cnnc2C1
InChIInChI=1S/C16H29N5/c1-2-8-17-15-7-5-3-4-6-14(15)11-20-9-10-21-13-18-19-16(21)12-20/h13-15,17H,2-12H2,1H3
InChIKeyNSGWDAVMFJXJAV-UHFFFAOYSA-N
XLogP2.04
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine (CID 64577881) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1CN1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine?
The InChIKey is NSGWDAVMFJXJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-2-8-17-15-7-5-3-4-6-14(15)11-20-9-10-21-13-18-19-16(21)12-20/h13-15,17H,2-12H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-N-propylcycloheptan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.04, 5 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-ylmethyl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 64577881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).