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

C17H22N4 — CID 115944003

IUPAC[5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)n1c(CN)nnc1C1C2CCc3ccccc3C21
InChIInChI=1S/C17H22N4/c1-10(2)21-14(9-18)19-20-17(21)16-13-8-7-11-5-3-4-6-12(11)15(13)16/h3-6,10,13,15-16H,7-9,18H2,1-2H3
InChIKeyIPQAZRGKVYUGEU-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.76
Rot. Bonds3

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

[5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine (PubChem CID 115944003) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is [5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
PubChem CID115944003
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name[5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)n1c(CN)nnc1C1C2CCc3ccccc3C21
InChIInChI=1S/C17H22N4/c1-10(2)21-14(9-18)19-20-17(21)16-13-8-7-11-5-3-4-6-12(11)15(13)16/h3-6,10,13,15-16H,7-9,18H2,1-2H3
InChIKeyIPQAZRGKVYUGEU-UHFFFAOYSA-N
XLogP2.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596259
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1,2,4-triazole
CID 115394710
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-cyclopropyl-1,2,4-triazole
CID 115394153
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 115389655
4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
CID 10443504
3-(bromomethyl)-5-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,2,4-triazole
CID 106894485
2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-6-amino-1H-1,3,5-triazine-4-thione
CID 83241113
2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole
CID 114771019
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2,4-dimethylpentan-1-one
CID 114285008
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine
CID 115779942
4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine
CID 112562111
5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-chloro-1,2,4-oxadiazole
CID 112572030

Frequently Asked Questions

What is the IUPAC name of [5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine (CID 115944003) is [5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine is CC(C)n1c(CN)nnc1C1C2CCc3ccccc3C21.
What is the InChIKey of [5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is IPQAZRGKVYUGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-10(2)21-14(9-18)19-20-17(21)16-13-8-7-11-5-3-4-6-12(11)15(13)16/h3-6,10,13,15-16H,7-9,18H2,1-2H3.
What are the key properties of [5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
[5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 2.76, 3 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)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 115944003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).