N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H21N5O — CID 139005001

IUPACN-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc2c(c1)CCCC2CNc1cc(C)nc2ncnn12
InChIInChI=1S/C18H21N5O/c1-12-8-17(23-18(22-12)20-11-21-23)19-10-14-5-3-4-13-9-15(24-2)6-7-16(13)14/h6-9,11,14,19H,3-5,10H2,1-2H3
InChIKeyJVNURYNVSZXDRH-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.97
Rot. Bonds4

About N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 139005001) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID139005001
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc2c(c1)CCCC2CNc1cc(C)nc2ncnn12
InChIInChI=1S/C18H21N5O/c1-12-8-17(23-18(22-12)20-11-21-23)19-10-14-5-3-4-13-9-15(24-2)6-7-16(13)14/h6-9,11,14,19H,3-5,10H2,1-2H3
InChIKeyJVNURYNVSZXDRH-UHFFFAOYSA-N
XLogP2.97
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 139005001) is N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc2c(c1)CCCC2CNc1cc(C)nc2ncnn12.
What is the InChIKey of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JVNURYNVSZXDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-8-17(23-18(22-12)20-11-21-23)19-10-14-5-3-4-13-9-15(24-2)6-7-16(13)14/h6-9,11,14,19H,3-5,10H2,1-2H3.
What are the key properties of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 323.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 139005001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).