12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine

C16H18N4 — CID 142270265

IUPAC12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine
SMILESCc1nc(C2=C3C=CC4(N)CCC(=CC=C2)C34C)n[nH]1
InChIInChI=1S/C16H18N4/c1-10-18-14(20-19-10)12-5-3-4-11-6-8-16(17)9-7-13(12)15(11,16)2/h3-5,7,9H,6,8,17H2,1-2H3,(H,18,19,20)
InChIKeyXMTYXQRCGHGKAK-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.43
Rot. Bonds1

About 12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine

12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine (PubChem CID 142270265) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine.

Molecular Properties

Compound Name12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine
PubChem CID142270265
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine
SMILESCc1nc(C2=C3C=CC4(N)CCC(=CC=C2)C34C)n[nH]1
InChIInChI=1S/C16H18N4/c1-10-18-14(20-19-10)12-5-3-4-11-6-8-16(17)9-7-13(12)15(11,16)2/h3-5,7,9H,6,8,17H2,1-2H3,(H,18,19,20)
InChIKeyXMTYXQRCGHGKAK-UHFFFAOYSA-N
XLogP2.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

12-methyl-8-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaen-4-amine
CID 142270254
5-heptyl-3-[1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]cyclopentyl]-1H-1,2,4-triazole
CID 142840529

Frequently Asked Questions

What is the IUPAC name of 12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine?
The IUPAC name of 12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine (CID 142270265) is 12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine.
What is the SMILES notation for 12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine?
The canonical SMILES for 12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine is Cc1nc(C2=C3C=CC4(N)CCC(=CC=C2)C34C)n[nH]1.
What is the InChIKey of 12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine?
The InChIKey is XMTYXQRCGHGKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-10-18-14(20-19-10)12-5-3-4-11-6-8-16(17)9-7-13(12)15(11,16)2/h3-5,7,9H,6,8,17H2,1-2H3,(H,18,19,20).
What are the key properties of 12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine?
12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine has a molecular weight of 266.35 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-11-(5-methyl-1H-1,2,4-triazol-3-yl)tricyclo[5.4.1.04,12]dodeca-1(11),2,7,9-tetraen-4-amine is sourced from PubChem (CID 142270265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).