[1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol

C8H13N5O — CID 141350781

IUPAC[1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
SMILESNc1ncnc(N2CCCC2CO)n1
InChIInChI=1S/C8H13N5O/c9-7-10-5-11-8(12-7)13-3-1-2-6(13)4-14/h5-6,14H,1-4H2,(H2,9,10,11,12)
InChIKeyRVWMTNXXKGSJDA-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.59
Rot. Bonds2

About [1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol

[1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 141350781) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is [1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
PubChem CID141350781
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name[1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
SMILESNc1ncnc(N2CCCC2CO)n1
InChIInChI=1S/C8H13N5O/c9-7-10-5-11-8(12-7)13-3-1-2-6(13)4-14/h5-6,14H,1-4H2,(H2,9,10,11,12)
InChIKeyRVWMTNXXKGSJDA-UHFFFAOYSA-N
XLogP-0.59
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol (CID 141350781) is [1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol is Nc1ncnc(N2CCCC2CO)n1.
What is the InChIKey of [1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is RVWMTNXXKGSJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-7-10-5-11-8(12-7)13-3-1-2-6(13)4-14/h5-6,14H,1-4H2,(H2,9,10,11,12).
What are the key properties of [1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol?
[1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol has a molecular weight of 195.23 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 141350781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).