1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one

C10H13N5O — CID 116618362

IUPAC1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one
SMILESCCCn1ncnc1Cn1cccnc1=O
InChIInChI=1S/C10H13N5O/c1-2-5-15-9(12-8-13-15)7-14-6-3-4-11-10(14)16/h3-4,6,8H,2,5,7H2,1H3
InChIKeyQRWOAYNSZIJEAE-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.29
Rot. Bonds4

About 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one

1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one (PubChem CID 116618362) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one
PubChem CID116618362
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one
SMILESCCCn1ncnc1Cn1cccnc1=O
InChIInChI=1S/C10H13N5O/c1-2-5-15-9(12-8-13-15)7-14-6-3-4-11-10(14)16/h3-4,6,8H,2,5,7H2,1H3
InChIKeyQRWOAYNSZIJEAE-UHFFFAOYSA-N
XLogP0.29
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxo-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carbonitrile
CID 107017431
5-chloro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-dione
CID 66424374
6-chloro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
CID 114582074
5-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazol-2-one
CID 136538268
4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole
CID 82795063
6-chloro-5-methoxy-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
CID 114585157
4-nitro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole
CID 116623428
ethyl 3-methyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxylate
CID 105421687
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol
CID 66398883
1-[2-(ethylamino)ethyl]pyrimidin-2-one
CID 61386971
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one
CID 116618364

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one?
The IUPAC name of 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one (CID 116618362) is 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one?
The canonical SMILES for 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one is CCCn1ncnc1Cn1cccnc1=O.
What is the InChIKey of 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one?
The InChIKey is QRWOAYNSZIJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-5-15-9(12-8-13-15)7-14-6-3-4-11-10(14)16/h3-4,6,8H,2,5,7H2,1H3.
What are the key properties of 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one?
1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one has a molecular weight of 219.25 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one is sourced from PubChem (CID 116618362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).