N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine

C19H22F3N7 — CID 146074614

IUPACN-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)n2ncnc2n1
InChIInChI=1S/C19H22F3N7/c1-13-9-17(29-18(26-13)24-12-25-29)28-7-4-14(5-8-28)11-27(2)16-10-15(3-6-23-16)19(20,21)22/h3,6,9-10,12,14H,4-5,7-8,11H2,1-2H3
InChIKeyISNFSHXBSVIYCP-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.20
Rot. Bonds4

About N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine

N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 146074614) has the molecular formula C19H22F3N7 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID146074614
Molecular FormulaC19H22F3N7
Molecular Weight405.43 g/mol
Exact Mass405.19
IUPAC NameN-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)n2ncnc2n1
InChIInChI=1S/C19H22F3N7/c1-13-9-17(29-18(26-13)24-12-25-29)28-7-4-14(5-8-28)11-27(2)16-10-15(3-6-23-16)19(20,21)22/h3,6,9-10,12,14H,4-5,7-8,11H2,1-2H3
InChIKeyISNFSHXBSVIYCP-UHFFFAOYSA-N
XLogP3.20
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.20
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-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 146074614) is N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine is Cc1cc(N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)n2ncnc2n1.
What is the InChIKey of N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ISNFSHXBSVIYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7/c1-13-9-17(29-18(26-13)24-12-25-29)28-7-4-14(5-8-28)11-27(2)16-10-15(3-6-23-16)19(20,21)22/h3,6,9-10,12,14H,4-5,7-8,11H2,1-2H3.
What are the key properties of N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 405.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 146074614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).