13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine

C13H19N5 — CID 143640324

IUPAC13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine
SMILESCCc1nc2c3n1CCN1CCCC(NC=2N)C=31
InChIInChI=1S/C13H19N5/c1-2-9-16-10-12-11-8(15-13(10)14)4-3-5-17(11)6-7-18(9)12/h8,15H,2-7,14H2,1H3
InChIKeyBXBKHOYLFKNWET-UHFFFAOYSA-N
MW245.33 g/mol
LogP-1.34
Rot. Bonds1

About 13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine

13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine (PubChem CID 143640324) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine.

Molecular Properties

Compound Name13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine
PubChem CID143640324
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine
SMILESCCc1nc2c3n1CCN1CCCC(NC=2N)C=31
InChIInChI=1S/C13H19N5/c1-2-9-16-10-12-11-8(15-13(10)14)4-3-5-17(11)6-7-18(9)12/h8,15H,2-7,14H2,1H3
InChIKeyBXBKHOYLFKNWET-UHFFFAOYSA-N
XLogP-1.34
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine?
The IUPAC name of 13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine (CID 143640324) is 13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine.
What is the SMILES notation for 13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine?
The canonical SMILES for 13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine is CCc1nc2c3n1CCN1CCCC(NC=2N)C=31.
What is the InChIKey of 13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine?
The InChIKey is BXBKHOYLFKNWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-9-16-10-12-11-8(15-13(10)14)4-3-5-17(11)6-7-18(9)12/h8,15H,2-7,14H2,1H3.
What are the key properties of 13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine?
13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine has a molecular weight of 245.33 g/mol, XLogP of -1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-10,12,14-trien-10-amine is sourced from PubChem (CID 143640324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).