ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide

C17H20F3N5O — CID 145295636

IUPACethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide
SMILESCC.NNC(=O)c1cnc(NC2(c3ccc(C(F)(F)F)cc3)CC2)nc1
InChIInChI=1S/C15H14F3N5O.C2H6/c16-15(17,18)11-3-1-10(2-4-11)14(5-6-14)22-13-20-7-9(8-21-13)12(24)23-19;1-2/h1-4,7-8H,5-6,19H2,(H,23,24)(H,20,21,22);1-2H3
InChIKeyBMMNTOGWQOESII-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.23
Rot. Bonds4

About ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide

ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide (PubChem CID 145295636) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Nameethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide
PubChem CID145295636
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Nameethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide
SMILESCC.NNC(=O)c1cnc(NC2(c3ccc(C(F)(F)F)cc3)CC2)nc1
InChIInChI=1S/C15H14F3N5O.C2H6/c16-15(17,18)11-3-1-10(2-4-11)14(5-6-14)22-13-20-7-9(8-21-13)12(24)23-19;1-2/h1-4,7-8H,5-6,19H2,(H,23,24)(H,20,21,22);1-2H3
InChIKeyBMMNTOGWQOESII-UHFFFAOYSA-N
XLogP3.23
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide?
The IUPAC name of ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide (CID 145295636) is ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide.
What is the SMILES notation for ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide?
The canonical SMILES for ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide is CC.NNC(=O)c1cnc(NC2(c3ccc(C(F)(F)F)cc3)CC2)nc1.
What is the InChIKey of ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide?
The InChIKey is BMMNTOGWQOESII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O.C2H6/c16-15(17,18)11-3-1-10(2-4-11)14(5-6-14)22-13-20-7-9(8-21-13)12(24)23-19;1-2/h1-4,7-8H,5-6,19H2,(H,23,24)(H,20,21,22);1-2H3.
What are the key properties of ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide?
ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide has a molecular weight of 367.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide is sourced from PubChem (CID 145295636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).