1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol

C12H19N5O — CID 3073371

IUPAC1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol
SMILESCCCc1nc(NC2CC2)nc(N2CC(O)C2)n1
InChIInChI=1S/C12H19N5O/c1-2-3-10-14-11(13-8-4-5-8)16-12(15-10)17-6-9(18)7-17/h8-9,18H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyURHUGZJUXSWFFQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.58
Rot. Bonds5

About 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol

1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol (PubChem CID 3073371) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol
PubChem CID3073371
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol
SMILESCCCc1nc(NC2CC2)nc(N2CC(O)C2)n1
InChIInChI=1S/C12H19N5O/c1-2-3-10-14-11(13-8-4-5-8)16-12(15-10)17-6-9(18)7-17/h8-9,18H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyURHUGZJUXSWFFQ-UHFFFAOYSA-N
XLogP0.58
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethanol, 2,2'-((4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl)imino)bis-, monohydrochloride
CID 3073350
Ethanol, 2,2'-((4-(cyclopropyl-6-(cyclorpopylamino)-1,3,5-triazin-2-yl)imino)bis-
CID 3073368
3-Azetidinol, 1-(4-cyclopropyl-6-(cyclopropylamino)-1,3,5-triazin-2-yl)-
CID 3073369
1,3,5-Triazin-2-amine, N,4-dicyclopropyl-6-(3-methoxy-1-azetidinyl)-
CID 3073370
2-[[4-(Cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
CID 3073351
2-[(4-Cyclopropyl-6-ethyl-1,3,5-triazin-2-yl)amino]ethanol;ethane
CID 153632901
2-[[4-(2-Hydroxyethylamino)-6-propyl-1,3,5-triazin-2-yl]amino]ethanol
CID 163974831
2-[1-(4,6-Diamino-1,3,5-triazin-2-yl)butan-2-ylamino]ethanol
CID 177125249
1-[[4-(2-Hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 33480
1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]azetidin-3-ol
CID 63282010
(2R)-1-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 99583724
2-[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 133433458

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol?
The IUPAC name of 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol (CID 3073371) is 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol.
What is the SMILES notation for 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol?
The canonical SMILES for 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol is CCCc1nc(NC2CC2)nc(N2CC(O)C2)n1.
What is the InChIKey of 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol?
The InChIKey is URHUGZJUXSWFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-3-10-14-11(13-8-4-5-8)16-12(15-10)17-6-9(18)7-17/h8-9,18H,2-7H2,1H3,(H,13,14,15,16).
What are the key properties of 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol?
1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol has a molecular weight of 249.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]azetidin-3-ol is sourced from PubChem (CID 3073371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).