5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine

C11H18N4 — CID 112596396

IUPAC5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2C3CCCCC32)n1C
InChIInChI=1S/C11H18N4/c1-12-11-14-13-10(15(11)2)9-7-5-3-4-6-8(7)9/h7-9H,3-6H2,1-2H3,(H,12,14)
InChIKeyLHQDREOUAQAIHH-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.76
Rot. Bonds2

About 5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112596396) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112596396
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2C3CCCCC32)n1C
InChIInChI=1S/C11H18N4/c1-12-11-14-13-10(15(11)2)9-7-5-3-4-6-8(7)9/h7-9H,3-6H2,1-2H3,(H,12,14)
InChIKeyLHQDREOUAQAIHH-UHFFFAOYSA-N
XLogP1.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597244
N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine
CID 112596317
N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine
CID 112597261
5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596424
N,4-dimethyl-5-(3-methyloxolan-2-yl)-1,2,4-triazol-3-amine
CID 112596403
N,4-dimethyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazol-3-amine
CID 102783762
(5S)-5-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 104911717
N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine
CID 112596248
3-(7-bicyclo[4.1.0]heptanyl)-5-(chloromethyl)-4-propyl-1,2,4-triazole
CID 115398353
4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid
CID 114392985
5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597085
6-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclohex-3-ene-1-carboxylic acid
CID 112597619

Frequently Asked Questions

What is the IUPAC name of 5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112596396) is 5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(C2C3CCCCC32)n1C.
What is the InChIKey of 5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is LHQDREOUAQAIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-12-11-14-13-10(15(11)2)9-7-5-3-4-6-8(7)9/h7-9H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).