N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine

C14H22N4S — CID 62577916

IUPACN-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine
SMILESCC(CNC1CC1)Sc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C14H22N4S/c1-9(8-15-11-4-5-11)19-14-17-16-13(10-2-3-10)18(14)12-6-7-12/h9-12,15H,2-8H2,1H3
InChIKeyCBIIYYOMRXRFQU-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.72
Rot. Bonds7

About N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine

N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine (PubChem CID 62577916) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine
PubChem CID62577916
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC NameN-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine
SMILESCC(CNC1CC1)Sc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C14H22N4S/c1-9(8-15-11-4-5-11)19-14-17-16-13(10-2-3-10)18(14)12-6-7-12/h9-12,15H,2-8H2,1H3
InChIKeyCBIIYYOMRXRFQU-UHFFFAOYSA-N
XLogP2.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine
CID 62579197
2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpentan-1-ol
CID 64805942
(3R)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one
CID 51675581
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
CID 17426824
(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpropanamide
CID 40721404
methyl 3-amino-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 114242197
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 43343270
N-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopentanamine
CID 63515495
(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide
CID 40722490
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-amine
CID 64619892
(2S)-N-benzyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7665433
ethyl 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pentanoate
CID 79004760

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine (CID 62577916) is N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine is CC(CNC1CC1)Sc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine?
The InChIKey is CBIIYYOMRXRFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-9(8-15-11-4-5-11)19-14-17-16-13(10-2-3-10)18(14)12-6-7-12/h9-12,15H,2-8H2,1H3.
What are the key properties of N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine?
N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine has a molecular weight of 278.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine is sourced from PubChem (CID 62577916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).