2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one

C12H17N5O2 — CID 154868300

IUPAC2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCNNCC1
InChIInChI=1S/C12H17N5O2/c18-10-7-9(15-11(16-10)8-1-2-8)12(19)17-5-3-13-14-4-6-17/h7-8,13-14H,1-6H2,(H,15,16,18)
InChIKeyYXIOUDITQVRIFT-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.80
Rot. Bonds2

About 2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one (PubChem CID 154868300) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one
PubChem CID154868300
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCNNCC1
InChIInChI=1S/C12H17N5O2/c18-10-7-9(15-11(16-10)8-1-2-8)12(19)17-5-3-13-14-4-6-17/h7-8,13-14H,1-6H2,(H,15,16,18)
InChIKeyYXIOUDITQVRIFT-UHFFFAOYSA-N
XLogP-0.80
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 154868299
N'-methyl-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carbohydrazide
CID 68640943
2-cyclopropyl-4-(diazinane-1-carbonyl)-1H-pyrimidin-6-one
CID 154865866
1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4-methyl-1,4-diazepan-5-one
CID 166245006
4-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-4,8-diazaspiro[2.6]nonan-9-one
CID 167831767

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one (CID 154868300) is 2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one is O=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCNNCC1.
What is the InChIKey of 2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is YXIOUDITQVRIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c18-10-7-9(15-11(16-10)8-1-2-8)12(19)17-5-3-13-14-4-6-17/h7-8,13-14H,1-6H2,(H,15,16,18).
What are the key properties of 2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 263.30 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 154868300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).