N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C15H22F3N7 — CID 129342526

IUPACN-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCCCn1nnnc1CN(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H22F3N7/c1-3-6-25-14(20-21-22-25)10-23(2)7-11-4-5-13-19-12(15(16,17)18)9-24(13)8-11/h9,11H,3-8,10H2,1-2H3/t11-/m0/s1
InChIKeyUGENMOBFAJKXRV-NSHDSACASA-N
MW357.38 g/mol
LogP1.99
Rot. Bonds6

About N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129342526) has the molecular formula C15H22F3N7 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129342526
Molecular FormulaC15H22F3N7
Molecular Weight357.38 g/mol
Exact Mass357.19
IUPAC NameN-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCCCn1nnnc1CN(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H22F3N7/c1-3-6-25-14(20-21-22-25)10-23(2)7-11-4-5-13-19-12(15(16,17)18)9-24(13)8-11/h9,11H,3-8,10H2,1-2H3/t11-/m0/s1
InChIKeyUGENMOBFAJKXRV-NSHDSACASA-N
XLogP1.99
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129342526) is N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is CCCn1nnnc1CN(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is UGENMOBFAJKXRV-NSHDSACASA-N. The full InChI is InChI=1S/C15H22F3N7/c1-3-6-25-14(20-21-22-25)10-23(2)7-11-4-5-13-19-12(15(16,17)18)9-24(13)8-11/h9,11H,3-8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 357.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-propyltetrazol-5-yl)methyl]-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129342526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).