[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone

C16H20N6O2 — CID 118739257

IUPAC[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESCOCC1c2nnn(CC3CC3)c2CCN1C(=O)c1ccncn1
InChIInChI=1S/C16H20N6O2/c1-24-9-14-15-13(22(20-19-15)8-11-2-3-11)5-7-21(14)16(23)12-4-6-17-10-18-12/h4,6,10-11,14H,2-3,5,7-9H2,1H3
InChIKeyWADGHJIWTNDAEC-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.86
Rot. Bonds5

About [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone

[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (PubChem CID 118739257) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
PubChem CID118739257
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESCOCC1c2nnn(CC3CC3)c2CCN1C(=O)c1ccncn1
InChIInChI=1S/C16H20N6O2/c1-24-9-14-15-13(22(20-19-15)8-11-2-3-11)5-7-21(14)16(23)12-4-6-17-10-18-12/h4,6,10-11,14H,2-3,5,7-9H2,1H3
InChIKeyWADGHJIWTNDAEC-UHFFFAOYSA-N
XLogP0.86
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (CID 118739257) is [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is COCC1c2nnn(CC3CC3)c2CCN1C(=O)c1ccncn1.
What is the InChIKey of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The InChIKey is WADGHJIWTNDAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-24-9-14-15-13(22(20-19-15)8-11-2-3-11)5-7-21(14)16(23)12-4-6-17-10-18-12/h4,6,10-11,14H,2-3,5,7-9H2,1H3.
What are the key properties of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone has a molecular weight of 328.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 118739257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).