6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H16ClN5 — CID 58128402

IUPAC6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N[C@@H](C)c2ccc3ccccc3c2)c1Cl
InChIInChI=1S/C18H16ClN5/c1-11(14-8-7-13-5-3-4-6-15(13)9-14)22-17-16(19)12(2)23-18-20-10-21-24(17)18/h3-11,22H,1-2H3/t11-/m0/s1
InChIKeyZPGFJCHFDQIIBY-NSHDSACASA-N
MW337.81 g/mol
LogP4.41
Rot. Bonds3

About 6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58128402) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID58128402
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC Name6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N[C@@H](C)c2ccc3ccccc3c2)c1Cl
InChIInChI=1S/C18H16ClN5/c1-11(14-8-7-13-5-3-4-6-15(13)9-14)22-17-16(19)12(2)23-18-20-10-21-24(17)18/h3-11,22H,1-2H3/t11-/m0/s1
InChIKeyZPGFJCHFDQIIBY-NSHDSACASA-N
XLogP4.41
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 58128402) is 6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N[C@@H](C)c2ccc3ccccc3c2)c1Cl.
What is the InChIKey of 6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZPGFJCHFDQIIBY-NSHDSACASA-N. The full InChI is InChI=1S/C18H16ClN5/c1-11(14-8-7-13-5-3-4-6-15(13)9-14)22-17-16(19)12(2)23-18-20-10-21-24(17)18/h3-11,22H,1-2H3/t11-/m0/s1.
What are the key properties of 6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 337.81 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[(1S)-1-naphthalen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58128402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).