5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine

C15H18N4 — CID 112596259

IUPAC5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2C3CCc4ccccc4C32)n1C
InChIInChI=1S/C15H18N4/c1-16-15-18-17-14(19(15)2)13-11-8-7-9-5-3-4-6-10(9)12(11)13/h3-6,11-13H,7-8H2,1-2H3,(H,16,18)
InChIKeyWFPKVMFVFFPUTR-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.30
Rot. Bonds2

About 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112596259) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112596259
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2C3CCc4ccccc4C32)n1C
InChIInChI=1S/C15H18N4/c1-16-15-18-17-14(19(15)2)13-11-8-7-9-5-3-4-6-10(9)12(11)13/h3-6,11-13H,7-8H2,1-2H3,(H,16,18)
InChIKeyWFPKVMFVFFPUTR-UHFFFAOYSA-N
XLogP2.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112596259) is 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(C2C3CCc4ccccc4C32)n1C.
What is the InChIKey of 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is WFPKVMFVFFPUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-16-15-18-17-14(19(15)2)13-11-8-7-9-5-3-4-6-10(9)12(11)13/h3-6,11-13H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 254.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).