[4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol

C16H27N5O — CID 154740447

IUPAC[4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(NCC2CC2)CCN(CC2CCc3ncnn32)CC1
InChIInChI=1S/C16H27N5O/c22-11-16(18-9-13-1-2-13)5-7-20(8-6-16)10-14-3-4-15-17-12-19-21(14)15/h12-14,18,22H,1-11H2
InChIKeyRKCOROBVFVEBGO-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.59
Rot. Bonds6

About [4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol

[4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol (PubChem CID 154740447) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol
PubChem CID154740447
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name[4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(NCC2CC2)CCN(CC2CCc3ncnn32)CC1
InChIInChI=1S/C16H27N5O/c22-11-16(18-9-13-1-2-13)5-7-20(8-6-16)10-14-3-4-15-17-12-19-21(14)15/h12-14,18,22H,1-11H2
InChIKeyRKCOROBVFVEBGO-UHFFFAOYSA-N
XLogP0.59
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol (CID 154740447) is [4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol is OCC1(NCC2CC2)CCN(CC2CCc3ncnn32)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is RKCOROBVFVEBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c22-11-16(18-9-13-1-2-13)5-7-20(8-6-16)10-14-3-4-15-17-12-19-21(14)15/h12-14,18,22H,1-11H2.
What are the key properties of [4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol?
[4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 305.43 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)-1-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-5-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 154740447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).