1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine

C11H16N4O — CID 105475956

IUPAC1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine
SMILESNC1(c2nncc(C3CCOCC3)n2)CC1
InChIInChI=1S/C11H16N4O/c12-11(3-4-11)10-14-9(7-13-15-10)8-1-5-16-6-2-8/h7-8H,1-6,12H2
InChIKeyQQFZFADMSBPHKV-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.71
Rot. Bonds2

About 1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine

1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine (PubChem CID 105475956) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine
PubChem CID105475956
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine
SMILESNC1(c2nncc(C3CCOCC3)n2)CC1
InChIInChI=1S/C11H16N4O/c12-11(3-4-11)10-14-9(7-13-15-10)8-1-5-16-6-2-8/h7-8H,1-6,12H2
InChIKeyQQFZFADMSBPHKV-UHFFFAOYSA-N
XLogP0.71
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine
CID 105448142
1-[5-(oxan-4-yl)-1H-pyrazol-3-yl]cyclopropan-1-amine
CID 105460864
[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902577
3-chloro-6-(oxan-4-yl)pyridazin-4-amine
CID 117105134
1-(4-cyclopropylpyrimidin-2-yl)cyclopentan-1-amine
CID 63319473
N-methyl-1-[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclobutyl]methanamine
CID 116902732
1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859662
1-(4-cyclopropylpyrimidin-2-yl)cyclohexan-1-amine
CID 63320036
5-(thian-4-yl)-1,2,4-triazin-3-amine
CID 105450174
1-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclopentan-1-amine
CID 63319946
7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine
CID 115039692
1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine
CID 105432481

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine?
The IUPAC name of 1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine (CID 105475956) is 1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine is NC1(c2nncc(C3CCOCC3)n2)CC1.
What is the InChIKey of 1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine?
The InChIKey is QQFZFADMSBPHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-11(3-4-11)10-14-9(7-13-15-10)8-1-5-16-6-2-8/h7-8H,1-6,12H2.
What are the key properties of 1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine?
1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine has a molecular weight of 220.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine is sourced from PubChem (CID 105475956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).