1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C21H30N6O — CID 145231084

IUPAC1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESC1CCN(CC2CCCC2)CC1.COc1cccc2c1nc(N)n1ncnc21
InChIInChI=1S/C11H21N.C10H9N5O/c1-4-8-12(9-5-1)10-11-6-2-3-7-11;1-16-7-4-2-3-6-8(7)14-10(11)15-9(6)12-5-13-15/h11H,1-10H2;2-5H,1H3,(H2,11,14)
InChIKeyYNTXSXQYMPMTFB-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.53
Rot. Bonds3

About 1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 145231084) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID145231084
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESC1CCN(CC2CCCC2)CC1.COc1cccc2c1nc(N)n1ncnc21
InChIInChI=1S/C11H21N.C10H9N5O/c1-4-8-12(9-5-1)10-11-6-2-3-7-11;1-16-7-4-2-3-6-8(7)14-10(11)15-9(6)12-5-13-15/h11H,1-10H2;2-5H,1H3,(H2,11,14)
InChIKeyYNTXSXQYMPMTFB-UHFFFAOYSA-N
XLogP3.53
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 145231084) is 1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is C1CCN(CC2CCCC2)CC1.COc1cccc2c1nc(N)n1ncnc21.
What is the InChIKey of 1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is YNTXSXQYMPMTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C10H9N5O/c1-4-8-12(9-5-1)10-11-6-2-3-7-11;1-16-7-4-2-3-6-8(7)14-10(11)15-9(6)12-5-13-15/h11H,1-10H2;2-5H,1H3,(H2,11,14).
What are the key properties of 1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 382.51 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)piperidine;7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 145231084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).